SCHEMBL1345870

SCHEMBL1345870

COc1ccc(NC(=O)c2ccc3[nH]c(C(=O)O)c(CCCN)c3c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.60
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.53
POLB P06746 1/20 0.53
MDM2 Q00987 1/20 0.53
MAPT P10636 3/20 0.49
TP53 P04637 2/20 0.49
PTPN5 P54829 1/20 0.48
DHODH Q02127 1/20 0.46
NPC1 O15118 4/20 0.46
ALOX15 P16050 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GPR17 Q13304 1/20 0.46
PDGFRB P09619 1/20 0.46
FGFR1 P11362 1/20 0.46
KDR P35968 1/20 0.46

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
SCHEMBL4784285 0.90 TP53 (0.55) RAB9AKMT2AMEN1KDM4EALDH1A1
SCHEMBL1346632 0.90 KMT2A (0.56) RAB9AKMT2AMEN1KDM4EALDH1A1
SCHEMBL1345355 0.88 MAPT (0.54) KMT2AKDM4EALDH1A1POLBMAPT
SCHEMBL1345311 0.87 PRNP (0.47) RAB9AKMT2AMEN1KDM4EPOLB
Acetic Acid SCHEMBL1345951 0.87 MAPT (0.54) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1345602 0.86 MAPKAPK2 (0.48) RAB9AKMT2AMEN1KDM4EPOLB
SCHEMBL1343642 0.86 TP53 (0.56) RAB9AKMT2AMEN1KDM4EMAPT
SCHEMBL1345168 0.85 POLB (0.56) RAB9AKMT2AMEN1KDM4EPOLB
SCHEMBL1345727 0.84 KDM4E (0.73) RAB9AKMT2AMEN1KDM4EALDH1A1
SCHEMBL1345627 0.83 MAPT (0.57) RAB9AKMT2AMEN1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063094-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-22 US disclosed
US-8063094-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-22 US disclosed
US-8063094-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-22 US disclosed
US-20110053955-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-03 US disclosed
US-20110053955-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-03 US disclosed
US-20110053955-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-03 US disclosed
WO-2008098096-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-14 WO disclosed
WO-2008098096-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-14 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 (1 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-20110053955-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS MAPKAPK2, IL2, MAP3K2 RAB9A 1841/4885KMT2A 399/4885MEN1 505/4885

“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.