SCHEMBL16690368

SCHEMBL16690368

Cn1nnn(-c2ccccc2OCc2ccc(Br)cc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 2/20 0.43
MAOB P27338 4/20 0.42
MAOA P21397 3/20 0.42
BRD4 O60885 1/20 0.41
LMNA P02545 2/20 0.39
MAPK14 Q16539 1/20 0.38
CCR5 P51681 1/20 0.38
CYP1A2 P05177 1/20 0.38
PTGER1 P34995 1/20 0.38
HPD P32754 1/20 0.38
PTP4A3 O75365 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL16690348 0.90 BRD4 (0.51) SMN1; SMN2NPC1RAB9AMAOBMAOA
SCHEMBL16690430 0.82 GRM5 (0.38) MEN1KMT2ABRD4MAPK14CYP1A2
SCHEMBL18037164 0.82 MAOB (0.40) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL18037163 0.80 DGAT1 (0.41) BRD4
SCHEMBL16690360 0.80 BRD4 (0.41) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL16690352 0.79 BRD4 (0.35) SMN1; SMN2BRD4MAPK14PTGER1MAPT
SCHEMBL17744718 0.78 PTGER1 (0.41) MEN1KMT2ASMN1; SMN2RAB9ALMNA
SCHEMBL16442812 0.75 PTGER1 (0.41) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL16385570 0.74 MAPT (0.39) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL16385265 0.73 ATM (0.39) SMN1; SMN2NPC1RAB9AHTTBRD4

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 MEN1 2116/4885KMT2A 1430/4885SMN1; SMN2 3372/4885

“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.