SCHEMBL5201498

SCHEMBL5201498

c1ccc(-n2cnc3nncc-3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NLRP3 Q96P20 1/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CYP2E1 P05181 1/20 0.36
CYP2A6 P11509 1/20 0.36
NOTUM Q6P988 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
GABRA1 P14867 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
USP7 Q93009 1/20 0.34
GAA P10253 1/20 0.33
CPB1 P15086 2/20 0.33

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
SCHEMBL5785754 0.74 NPC1 (0.50) NPC1RAB9ANLRP3GABRG2GABRB3
SCHEMBL3262201 0.70 NPC1 (0.46) NPC1RAB9ANLRP3MAOAMAOB
SCHEMBL5201503 0.70 GABRG2 (0.45) NPC1RAB9ANLRP3GABRG2GABRB3
SCHEMBL10775340 0.68 NPC1 (0.77) NPC1RAB9ANLRP3GABRG2GABRB3
SCHEMBL3504674 0.68 NPC1 (0.47) NPC1RAB9ANLRP3MAOAMAOB
SCHEMBL27354781 0.66 NPC1 (0.44) NPC1RAB9ANLRP3CYP2E1CYP2A6
SCHEMBL14481632 0.66 NPC1 (0.44) NPC1RAB9ANLRP3CYP2E1CYP2A6
SCHEMBL27798756 0.66 NPC1 (0.44) NPC1RAB9ANLRP3CYP2E1CYP2A6
SCHEMBL5366202 0.66 NPC1 (0.44) NPC1RAB9ANLRP3CYP2E1CYP2A6
SCHEMBL16038927 0.66 NPC1 (0.53) NPC1RAB9ANLRP3CYP2E1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1744735-A2 METHOD OF TREATMENT OF MYOCARDIAL INFARCTION The Scripps Research Institute (US) 2007-01-24 EP disclosed
WO-2005089366-A2 METHOD OF TREATMENT OF MYOCARDIAL INFARCTION THE SCRIPPS RESEARCH INSTITUTE (US) 2005-09-29 WO disclosed
US-20040214836-A1 Method of treatment of myocardial infarction NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-10-28 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-20040214836-A1 Method of treatment of myocardial infarction SRC, LCK, DSTYK NPC1 4794/4885RAB9A 4328/4885NLRP3 1499/4885

“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.