SCHEMBL469184

SCHEMBL469184

CCc1ccc(F)cc1F

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.54
AGXT P21549 2/20 0.54
RIPK1 Q13546 2/20 0.49
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PKM P14618 1/20 0.46
MAOB P27338 1/20 0.46
DAO P14920 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL12603792 0.82 TNKS2 (0.42) IDO1AGXTRIPK1SMN1; SMN2MAOB
SCHEMBL3667517 0.82 IDO1 (0.40) IDO1AGXTRIPK1KDM4ESMN1; SMN2
SCHEMBL1709322 0.81 IDO1 (0.50) IDO1AGXTRIPK1KDM4ESMN1; SMN2
SCHEMBL30636758 0.81 IDO1 (0.50) IDO1AGXTRIPK1KDM4ESMN1; SMN2
SCHEMBL15471657 0.80 ESR1 (0.46) KDM4E
SCHEMBL518007 0.80 IDO1 (0.54) IDO1AGXTRIPK1KDM4ESMN1; SMN2
SCHEMBL861831 0.80 RIPK1 (0.50) IDO1AGXTRIPK1SMN1; SMN2PKM
Ammonia Solution, Strong SCHEMBL6193006 0.79 IDO1 (0.48) IDO1AGXTRIPK1KDM4ESMN1; SMN2
SCHEMBL26036293 0.79 ESR1 (0.44) IDO1AGXTRIPK1
SCHEMBL3298107 0.79 IDO1 (0.58) IDO1AGXTRIPK1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4818110-B2 2011-11-16 JP claimed
EP-1651621-B1 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-06 EP claimed
US-7304051-B2 Quinoxaline compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-04 US claimed
US-7241759-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 US claimed
EP-1675837-A2 BENZO [1,2,5] THIADIAZOLE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-05 EP claimed
EP-1651621-A1 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-03 EP claimed
WO-2005016896-A1 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 WO claimed
US-20050038032-A1 Quinoxaline compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-17 US claimed
WO-2005012275-A2 BENZO [1, 2, 5] THIADIAZOLE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-10 WO claimed
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2004-11-11 US claimed
US-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
WO-2024139260-A1 ALLICIN DERIVATIVES, PREPARATION METHOD THEREFOR, AND USES THEREOF 成都新朝阳作物科学股份有限公司 2024-07-04 WO disclosed
EP-4310087-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF Gilead Sciences, Inc. (US) 2024-01-24 EP disclosed
US-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR FUKANG (SHANGHAI) HEALTH TECHNOLOGY CO., LTD (CN) 2024-01-18 US disclosed
WO-2023239892-A1 COMPOUNDS FOR MODULATION OF CD68 AND USES THEREOF ARKUDA THERAPEUTICS (US) 2023-12-14 WO disclosed
WO-2004076455-A1 SPIRO-SUBSTITUTED PYRROLOPYRIMIDINES NOVARTIS AG (CH) 2004-09-10 WO disclosed
WO-2004069256-A1 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2004-08-19 WO disclosed
US-20040077669-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 US disclosed
WO-2003020721-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2003-03-13 WO disclosed
CN-1299365-A Hygromycin A derivatives PFIZER PROD INC (US) 2001-06-13 CN 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 (5 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-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD IDO1 1232/4885AGXT 1673/4885RIPK1 2645/4885
US-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR PARP3, PARP1, PARP4 IDO1 2840/4885AGXT 1880/4885RIPK1 254/4885
US-20050038032-A1 Quinoxaline compounds CCKAR, CCKBR, GIPR IDO1 3193/4885AGXT 1690/4885RIPK1 1382/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 IDO1 2849/4885AGXT 2404/4885RIPK1 2963/4885
US-12043607-B2 HDAC inhibitors and therapeutic use thereof HDAC1, HDAC7, HDAC5 IDO1 2876/4885AGXT 2856/4885RIPK1 3014/4885

“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.