SCHEMBL16690347

SCHEMBL16690347

Cc1cccc(-n2nnn(C)c2=O)c1OCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPBWR1 P48145 1/20 0.38
FFAR1 O14842 4/20 0.38
PPARG P37231 1/20 0.37
FFAR4 Q5NUL3 2/20 0.37
LPAR1 Q92633 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36
MCL1 Q07820 2/20 0.35
LMNA P02545 2/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
GAA P10253 1/20 0.35
BCL2 P10415 1/20 0.35
PTGER1 P34995 1/20 0.35
PTGER4 P35408 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
SCHEMBL16690381 0.92 FFAR1 (0.43) PKMSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL16690405 0.91 PKM (0.43) PKMSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL16690344 0.89 PKM (0.39) PKMSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL16690349 0.88 NPC1 (0.39) PKMSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL18037164 0.85 MAOB (0.40) PKMSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL16690382 0.85 FFAR1 (0.37) NPBWR1FFAR1PPARGMAPT
SCHEMBL16690380 0.83 MRGPRX4 (0.42) PKMSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL16442821 0.82 NPC1 (0.40) PKMSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL16690383 0.82 NOTUM (0.38) PTGER1PTGER4PTGER3PTGER2MAPT
SCHEMBL16690429 0.81 MAOB (0.45) FFAR4PTGER1

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
US-20160249617-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-09-01 US disclosed
US-20160249617-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-09-01 US disclosed
WO-2015064727-A1 TETRAZOLINONE COMPOUND AND APPLICATION FOR SAME 住友化学株式会社 2015-05-07 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-20160249617-A1 TETRAZOLINONE COMPOUND AND USE THEREOF TCOF1, TAOK2, CYC1 PKM 2986/4885SMN1; SMN2 3372/4885NPC1 4581/4885

“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.