SCHEMBL3153565

SCHEMBL3153565

COC(=O)c1ccc2c(c1)NC(=O)C2=C(C)Nc1ccc(CN2CCc3ccccc3CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 10/20 0.48
TNF P01375 9/20 0.48
NOD2 Q9HC29 9/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL16752526 1.00 NOD1 (0.48) NOD1TNFNOD2MEN1KMT2A
SCHEMBL3153550 1.00 NOD1 (0.48) NOD1TNFNOD2MEN1KMT2A
SCHEMBL2568154 0.91 MEN1 (0.49) NOD1TNFNOD2MEN1KMT2A
SCHEMBL2568149 0.91 MEN1 (0.49) NOD1TNFNOD2MEN1KMT2A
SCHEMBL2120501 0.89 ALDH1A1 (0.49) TNFMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2120504 0.89 ALDH1A1 (0.49) TNFMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3143515 0.84 ALDH1A1 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL3143524 0.84 ALDH1A1 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL2569950 0.83 ALDH1A1 (0.49) TNFMEN1KMT2ARAB9ANPC1
SCHEMBL3149615 0.83 KMT2A (0.49) TNFMEN1KMT2ARAB9AALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230372297-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2023-11-23 US disclosed
US-20200330435-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2020-10-22 US disclosed
US-10154990-B2 Medicaments for the treatment or prevention of fibrotic diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-12-18 US disclosed
US-20160136133-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-05-19 US disclosed
US-20140296217-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-02 US disclosed
US-20100204211-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 US disclosed
EP-2157081-A1 Indolinones substituted in six locations, their manufacture and their application as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2010-02-24 EP disclosed
US-20060142373-A1 Medicaments for the Treatment or Prevention of Fibrotic Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-29 US disclosed
US-6762180-B1 Substituted indolines which inhibit receptor tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-07-13 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 (7 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-20100204211-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, COL1A1, FOXM1 NOD1 2307/4885TNF 303/4885NOD2 2181/4885
US-20060142373-A1 Medicaments for the Treatment or Prevention of Fibrotic Diseases MMP1, COL1A1, FOXM1 NOD1 2307/4885TNF 303/4885NOD2 2181/4885
US-20200330435-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, COL1A1, FOXM1 NOD1 2307/4885TNF 303/4885NOD2 2181/4885
US-20160136133-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, COL1A1, FOXM1 NOD1 2307/4885TNF 303/4885NOD2 2181/4885
US-20230372297-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, COL1A1, SMAD3 NOD1 2601/4885TNF 211/4885NOD2 1760/4885
US-10154990-B2 Medicaments for the treatment or prevention of fibrotic diseases MMP1, COL1A1, FOXM1 NOD1 2307/4885TNF 303/4885NOD2 2181/4885
US-20140296217-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, COL1A1, FOXM1 NOD1 2307/4885TNF 303/4885NOD2 2181/4885

“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.