SCHEMBL405478

SCHEMBL405478

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
TDP1 Q9NUW8 1/20 0.53
IDO1 P14902 1/20 0.53
TDO2 P48775 1/20 0.53
HSD17B10 Q99714 1/20 0.52
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GLA P06280 1/20 0.49
TNNI3 P19429 1/20 0.49
TNNT2 P45379 1/20 0.49
TNNC1 P63316 1/20 0.49
RUNX1 Q01196 1/20 0.49
CBFB Q13951 1/20 0.49

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
SCHEMBL8251619 0.85 NPC1 (0.62) ALDH1A1TDP1HSD17B10KMT2AMEN1
SCHEMBL30421453 0.85 NPC1 (0.62) ALDH1A1TDP1HSD17B10KMT2AMEN1
SCHEMBL863069 0.84 RAB9A (0.58) ALDH1A1TDP1IDO1TDO2KMT2A
SCHEMBL30368269 0.84 RAB9A (0.58) ALDH1A1TDP1IDO1TDO2KMT2A
SCHEMBL2755844 0.83 ALDH1A1 (0.55) ALDH1A1HSD17B10KMT2AMEN1MAPT
SCHEMBL20560673 0.83 NPC1 (0.49) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL2765530 0.82 TDP1 (0.53) ALDH1A1TDP1IDO1TDO2KMT2A
SCHEMBL29990241 0.82 POLB (0.68) ALDH1A1TDP1HSD17B10KMT2AMEN1
SCHEMBL2336203 0.82 POLB (0.68) ALDH1A1TDP1HSD17B10KMT2AMEN1
SCHEMBL15172131 0.81 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1MAPTSMN1; 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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 US disclosed
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 US disclosed
WO-2023144736-A1 COMPOSITIONS FOR PREVENTING OR TREATING PULMONARY ARTERIAL HYPERTENSION CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2023-08-03 WO disclosed
WO-2023144737-A1 COMPOSITIONS FOR PREVENTING OR TREATING HEART FAILURE (HF) CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2023-08-03 WO disclosed
WO-2022174253-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2022-08-18 WO disclosed
EP-3193851-B1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2020-10-21 EP disclosed
EP-3055290-B1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2019-10-02 EP disclosed
US-9895349-B2 N-phenyl-carboxamide derivatives and the use thereof as medicaments for the treatment of hepatitis B JANSSEN SCIENCES IRELAND US (IE) 2018-02-20 US disclosed
US-9895349-B2 N-phenyl-carboxamide derivatives and the use thereof as medicaments for the treatment of hepatitis B JANSSEN SCIENCES IRELAND US (IE) 2018-02-20 US disclosed
US-9840516-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2017-12-12 US disclosed
US-20080188450-A1 A 2-azabicyclo(16.3.1)docosa-1(21),4,6,10,18-penntaen-9-ylcarbamate derivative; Heat shock protein 90 inhibitors; hyperproliferative disease, breast cancer, ovarian cancer, leukemia, colon cancer, lung cancer KOSAN BIOSCIENCES INCORPORATED 2008-08-07 US disclosed
WO-2007106938-A1 METHOD OF TREATMENT OR PROPHYLAXIS INFLAMMATORY PAIN THE UNIVERSITY OF QUEENSLAND (AU) 2007-09-27 WO disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 WO disclosed
US-4912258-A A 4-fluoroaniline compound BOEHRINGER MANNHEIM GMBH (DE) 1990-03-27 US disclosed
EP-0161482-B1 FLUORINATED ANILINE DERIVATIVES AND THEIR USE Roche Diagnostics GmbH (DE) 1989-09-13 EP disclosed
EP-0161482-A1 Fluorinated aniline derivatives and their use Roche Diagnostics GmbH (DE) 1985-11-21 EP 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 (4 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 ALDH1A1 1389/4885TDP1 2680/4885IDO1 1783/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A ALDH1A1 862/4885TDP1 1498/4885IDO1 1021/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ALDH1A1 4178/4885TDP1 2242/4885IDO1 4265/4885
US-20080188450-A1 A 2-azabicyclo(16.3.1)docosa-1(21),4,6,10,18-penntaen-9-ylcarbamate derivative; Heat shock protein 90 inhibitors; hyperproliferative disease, breast cancer, ovarian cancer, leukemia, colon cancer, lung cancer HSP90AB2P, HSP90AB1, HSPA1B ALDH1A1 1868/4885TDP1 3707/4885IDO1 2900/4885

“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.