SCHEMBL13848829

SCHEMBL13848829

Cn1c(C=O)cnc1Sc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ALDH1A1 P00352 6/20 0.40
MAPT P10636 5/20 0.40
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 2/20 0.39
ATM Q13315 1/20 0.39
KDM4E B2RXH2 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PKM P14618 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
HTT P42858 5/20 0.35
NPSR1 Q6W5P4 5/20 0.35
VCP P55072 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL1778393 0.75 TRIM24 (0.36) ALDH1A1MAPTLMNASMN1; SMN2NPC1
SCHEMBL4036521 0.75 MAOA (0.41) MAOAMAOBALDH1A1MAPTLMNA
SCHEMBL13114045 0.73 ALDH1A1 (0.45) MAOAMAOBALDH1A1LMNASMN1; SMN2
SCHEMBL474103 0.73 HPGDS (0.51) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL3762858 0.71 ALDH1A1 (0.52) ALDH1A1MAPTLMNASMN1; SMN2NPC1
SCHEMBL13114047 0.71 MAOA (0.38) MAOAMAOBALDH1A1LMNASMN1; SMN2
SCHEMBL858846 0.69
SCHEMBL6997160 0.68 RAB9A (0.48) MAOAMAOBALDH1A1MAPTLMNA
SCHEMBL4034453 0.68 MAOA (0.41) MAOAMAOBALDH1A1MAPTLMNA
SCHEMBL2284691 0.67 ICAM1 (0.38) ALDH1A1MAPTLMNASMN1; SMN2NPC1

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
EP-1725544-B1 3-[4-HETEROCYCLYL-1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMA (US) 2009-05-27 EP disclosed
US-7514458-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-04-07 US disclosed
US-7514458-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-04-07 US disclosed
EP-1887003-A1 3-[4-HETEROCYCLYL -1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2008-02-13 EP disclosed
US-20070142371-A1 Anti-Cytokine Heterocyclic Compounds COGAN DEREK 2007-06-21 US disclosed
US-20070142371-A1 Anti-Cytokine Heterocyclic Compounds COGAN DEREK 2007-06-21 US disclosed
US-7214802-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-05-08 US disclosed
US-7214802-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-05-08 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 (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-20070142371-A1 Anti-Cytokine Heterocyclic Compounds TNF, IL6, IL1A MAOA 1506/4885MAOB 1854/4885ALDH1A1 278/4885

“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.