SCHEMBL1345396

SCHEMBL1345396

NCCCc1c(C(=O)O)[nH]c2ccc(NC(=O)c3ccccc3)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.53
JAK2 O60674 2/20 0.50
JAK1 P23458 1/20 0.50
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
HTR1F P30939 1/20 0.46
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.45
STK17B O94768 1/20 0.45
STK17A Q9UEE5 1/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
PSMB8 P28062 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MCL1 Q07820 2/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 1/20 0.44
DHODH Q02127 1/20 0.44
FOLH1 Q04609 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
Hydrochloric Acid SCHEMBL1347019 0.99 BRD4 (0.52) BRD4JAK2JAK1MAOAMAOB
SCHEMBL1345355 0.89 MAPT (0.54) JAK2JAK1KDM4EPOLBALDH1A1
SCHEMBL1346597 0.86 KDM4E (0.44) KDM4EPOLBALDH1A1MCL1KMT2A
Acetic Acid SCHEMBL1345951 0.86 MAPT (0.54) JAK2JAK1KDM4EPOLBALDH1A1
SCHEMBL1343642 0.85 TP53 (0.56) HTR1FKDM4ENPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL1343705 0.85 KDM4E (0.43) KDM4EPOLBALDH1A1MCL1KMT2A
SCHEMBL4784285 0.85 TP53 (0.55) HTR1FKDM4EPOLBNPC1RAB9A
SCHEMBL1345627 0.84 MAPT (0.57) KDM4EPOLBNPC1RAB9AALDH1A1
SCHEMBL1345311 0.84 PRNP (0.47) JAK2JAK1KDM4EPOLBRAB9A
SCHEMBL1345415 0.83 MAPKAPK2 (0.47) JAK2JAK1MAOBKDM4ENPC1

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 5 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-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

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 BRD4 406/4885JAK2 127/4885JAK1 273/4885

“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.