SCHEMBL9335

SCHEMBL9335

CC(=O)Nc1ccc(Br)c(F)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.65
MAOB P27338 1/20 0.50
HDAC1 Q13547 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 5/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
TNNI3 P19429 1/20 0.47
TNNT2 P45379 1/20 0.47
TNNC1 P63316 1/20 0.47
RUNX1 Q01196 1/20 0.47
CBFB Q13951 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31223199 1.00 IDO1 (0.65) IDO1MAOBHDAC1SMN1; SMN2HTT
SCHEMBL147440 0.85 IDO1 (0.65) IDO1SMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL1137180 0.83 MAOB (0.51) IDO1MAOBSMN1; SMN2HTTMAPT
SCHEMBL29142697 0.83 TDP1 (0.51) IDO1MAOBSMN1; SMN2L3MBTL1MAPT
SCHEMBL7659979 0.82 HTT (0.54) SMN1; SMN2HTTL3MBTL1MAPTMEN1
SCHEMBL30368269 0.82 RAB9A (0.58) IDO1HDAC1SMN1; SMN2HTTL3MBTL1
SCHEMBL863069 0.82 RAB9A (0.58) IDO1HDAC1SMN1; SMN2HTTL3MBTL1
SCHEMBL3931647 0.82 SMN1; SMN2 (0.50) IDO1MAOBSMN1; SMN2MAPTMEN1
SCHEMBL26931412 0.82 MAPT (0.52) IDO1MAOBSMN1; SMN2HTTGAA
SCHEMBL8859862 0.81 KIF11 (0.61) IDO1MAOBGAAMAPTMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117940432-A Camptothecins compound, preparation method and application thereof 上海弼领生物技术有限公司 2024-04-26 CN disclosed
EP-3596069-B1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO SCRIPPS RESEARCH INST (US) 2022-07-13 EP disclosed
US-10632125-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2020-04-28 US disclosed
US-10179790-B2 MTH1 inhibitors for treatment of cancer THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2019-01-15 US disclosed
US-20190000856-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS THOMAS HELLEDAYS STIFTELSE FOER MEDICINSK FORSKNING (SE) 2019-01-03 US disclosed
US-10064869-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2018-09-04 US disclosed
US-20170197976-A1 MTH1 INHIBITORS FOR TREATMENT OF CANCER THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2017-07-13 US disclosed
US-20170196873-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2017-07-13 US disclosed
CN-106794181-A MTH1 inhibitors for the treatment of inflammatory and autoimmune conditions 托马斯·黑勒戴药物研究基金会 2017-05-31 CN disclosed
EP-3151833-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS Thomas Helledays Stiftelse För Medicinsk Forskning (SE) 2017-04-12 EP disclosed
WO-2010052448-A2 FUSED PYRAZINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-05-14 WO disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
WO-2010030785-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 WO disclosed
US-20060287356-A1 dietetics or antidiabetic agents such as 4-hydroxy-3-(4'-hydroxy-1,1'-biphenyl-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile, used for prophylaxis of metabolic disorders IYENGAR RAJESH R 2006-12-21 US disclosed
US-7119205-B2 Thienopyridones as AMPK activators for the treatment of diabetes and obesity ABBOTT LABORATORIES (US) 2006-10-10 US disclosed
US-20050038068-A1 Thienopyridones as AMPK activators for the treatment of diabetes and obesity ABBVIE INC. 2005-02-17 US disclosed
EP-0530338-B1 ANISOTROPIC ORGANIC COMPOUNDS QINETIQ LTD (GB) 2002-05-02 EP disclosed
US-5888421-A LIQUID CRYSTALS THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1999-03-30 US disclosed
WO-1992016519-A2 ANISOTROPIC ORGANIC COMPOUNDS THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1992-10-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10179790-B2 MTH1 inhibitors for treatment of cancer MTHFD1, MTHFD2, DPYD IDO1 2571/4885MAOB 3686/4885HDAC1 1116/4885
US-20190000856-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS MTHFD1, MTHFD2, TPMT IDO1 694/4885MAOB 3850/4885HDAC1 1787/4885
US-20060287356-A1 dietetics or antidiabetic agents such as 4-hydroxy-3-(4'-hydroxy-1,1'-biphenyl-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile, used for prophylaxis of metabolic disorders GPR119, FABP4, ADIPOR1 IDO1 2976/4885MAOB 3529/4885HDAC1 792/4885
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 IDO1 119/4885MAOB 553/4885HDAC1 110/4885
US-20050038068-A1 Thienopyridones as AMPK activators for the treatment of diabetes and obesity PRKAG1, PRKAG3, PRKAG2 IDO1 4236/4885MAOB 2458/4885HDAC1 865/4885
US-20170197976-A1 MTH1 INHIBITORS FOR TREATMENT OF CANCER MTHFD1, MTHFD2, DPYD IDO1 2571/4885MAOB 3686/4885HDAC1 1116/4885
US-10632125-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions MTHFD1, MTHFD2, TPMT IDO1 694/4885MAOB 3850/4885HDAC1 1787/4885
US-20170196873-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS MTHFD1, MTHFD2, TPMT IDO1 694/4885MAOB 3850/4885HDAC1 1787/4885
US-10064869-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions MTHFD1, MTHFD2, TPMT IDO1 694/4885MAOB 3850/4885HDAC1 1787/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.