SCHEMBL4192284

SCHEMBL4192284

CC(=O)Nc1ccc(I)cc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
HPGD P15428 1/20 0.55
ESR1 P03372 1/20 0.48
MAPT P10636 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
IDO1 P14902 1/20 0.46
HTT P42858 3/20 0.43
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL3219456 0.86 IDO1 (0.50) ALDH1A1HPGDMAPTNPC1RAB9A
SCHEMBL1184050 0.85 ALDH1A1 (0.55) ALDH1A1HPGDMAPTNPC1RAB9A
SCHEMBL10852754 0.82 CA1 (0.60) ALDH1A1HPGDMAPTNPC1RAB9A
SCHEMBL14899092 0.81 POLB (0.67) ALDH1A1HPGDESR1MAPTNPC1
SCHEMBL2306741 0.80 KMT2A (0.69) ALDH1A1HPGDNPC1RAB9AKMT2A
SCHEMBL7211300 0.80 NPC1 (0.66) ALDH1A1HPGDESR1MAPTNPC1
SCHEMBL2648754 0.79 CA1 (0.57) ALDH1A1HPGDMAPTNPC1RAB9A
SCHEMBL2650449 0.79 HDAC1 (0.58) ALDH1A1MAPTNPC1RAB9APOLB
SCHEMBL29651075 0.79 CA1 (0.58) ALDH1A1HPGDMAPTNPC1RAB9A
SCHEMBL4847668 0.79 CA1 (0.58) ALDH1A1HPGDMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108147972-B Preparation method of vipatavir intermediate and analogue thereof 成都西岭源药业有限公司 2020-07-10 CN 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-20170196873-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2017-07-13 US disclosed
US-20170197976-A1 MTH1 INHIBITORS FOR TREATMENT OF CANCER THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2017-07-13 US 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
EP-3152195-A1 MTH1 INHIBITORS FOR TREATMENT OF CANCER Thomas Helledays Stiftelse För Medicinsk Forskning (SE) 2017-04-12 EP disclosed
WO-2015187088-A1 MTH1 INHIBITORS FOR TREATMENT OF CANCER THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2015-12-10 WO disclosed
EP-1372660-A2 A COMBINATION OF FBPASE INHIBITORS AND ANTIDIABETIC AGENTS USEFUL FOR THE TREATMENT OF DIABETES Metabasis Therapeutics, Inc. (US) 2004-01-02 EP disclosed
US-20030073728-A1 Combination of FBPase inhibitors and antidiabetic agents useful for the treatment of diabetes METABASIS THERAPEUTICS, INC. 2003-04-17 US disclosed
EP-1265907-A2 NOVEL ARYL FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS Metabasis Therapeutics, Inc. (US) 2002-12-18 EP disclosed
US-20020040014-A1 Novel aryl fructose-1,6-Bisphosphatase inhibitors METABASIS THERAPEUTICS, INC. 2002-04-04 US disclosed
WO-2002003978-A2 A COMBINATION OF FBPase INHIBITORS AND ANTIDIABETIC AGENTS USEFUL FOR THE TREATMENT OF DIABETES METABASIS THERAPEUTICS, INC. (US) 2002-01-17 WO disclosed
WO-2001066553-A2 NOVEL ARYL FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS METABASIS THERAPEUTICS, INC. (US) 2001-09-13 WO disclosed
WO-1993012795-A1 QUINAZOLIN-4(3H)-ONE DERIVATIVES AS ANTICOCCIDIAL AGENTS GLAZER EDWARD A (US) 1993-07-08 WO disclosed
US-4920224-A CHEMICAL INTERMEDIATES PFIZER INC. (US) 1990-04-24 US disclosed
US-4849518-A ANTIPROTOZOA IN POULTRY PFIZER INC. (US) 1989-07-18 US disclosed
US-4762838-A Quinazolin-4(3H)-one derivatives as anticoccidial agents PFIZER INC. (US) 1988-08-09 US 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 (8 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-20030073728-A1 Combination of FBPase inhibitors and antidiabetic agents useful for the treatment of diabetes FBP1, ALDOA, G6PC1 ALDH1A1 2627/4885HPGD 1298/4885ESR1 4619/4885
US-10179790-B2 MTH1 inhibitors for treatment of cancer MTHFD1, MTHFD2, DPYD ALDH1A1 103/4885HPGD 275/4885ESR1 4582/4885
US-20020040014-A1 Novel aryl fructose-1,6-Bisphosphatase inhibitors FBP1, SLC5A1, G6PC1 ALDH1A1 228/4885HPGD 1438/4885ESR1 4031/4885
US-20190000856-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS MTHFD1, MTHFD2, TPMT ALDH1A1 240/4885HPGD 452/4885ESR1 4825/4885
US-20170197976-A1 MTH1 INHIBITORS FOR TREATMENT OF CANCER MTHFD1, MTHFD2, DPYD ALDH1A1 103/4885HPGD 275/4885ESR1 4582/4885
US-10632125-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions MTHFD1, MTHFD2, TPMT ALDH1A1 240/4885HPGD 452/4885ESR1 4825/4885
US-20170196873-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS MTHFD1, MTHFD2, TPMT ALDH1A1 240/4885HPGD 452/4885ESR1 4825/4885
US-10064869-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions MTHFD1, MTHFD2, TPMT ALDH1A1 240/4885HPGD 452/4885ESR1 4825/4885

“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.