SCHEMBL4729222

SCHEMBL4729222

N#Cc1c[nH]nc1Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
PIN1 Q13526 1/20 0.50
HPGD P15428 4/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 5/20 0.44
KDM5A P29375 1/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C19 P33261 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CYP2C9 P11712 1/20 0.44
ERBB2 P04626 2/20 0.43
GAA P10253 2/20 0.41
LTA4H P09960 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GPR55 Q9Y2T6 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
SCHEMBL3092226 0.75 MAOB (0.50) L3MBTL1
SCHEMBL15756593 0.74 POLB (0.42) MEN1KMT2ASMN1; SMN2PIN1HPGD
Diphenylether SCHEMBL28706414 0.72 LTA4H (0.60) MEN1KMT2ASMN1; SMN2PIN1HPGD
SCHEMBL3293477 0.71 ALDH1A1 (0.55) MEN1KMT2ASMN1; SMN2PIN1HPGD
SCHEMBL20168372 0.71
SCHEMBL4219751 0.70 ERBB2 (0.50) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL4215656 0.69 ERBB2 (0.49) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL14305798 0.69 MEN1 (0.51) MEN1KMT2ASMN1; SMN2PIN1HPGD
Methyl Alcohol SCHEMBL11374946 0.68 MEN1 (0.55) MEN1KMT2ASMN1; SMN2PIN1HPGD
SCHEMBL30441601 0.67 GAA (0.72) MEN1KMT2ASMN1; SMN2PIN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008047224-A1 PYRAZOLYL-4-OXY-BENZONITRILE DERIVATIVES USEFUL IN TREATING ENDOMETRIOSIS PFIZER LIMITED (GB) 2008-04-24 WO disclosed
US-20080096950-A1 Compounds Useful In Therapy PFIZER INC. 2008-04-24 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-20080096950-A1 Compounds Useful In Therapy CYP19A1, LPXN, HSD17B11 MEN1 1972/4885KMT2A 1460/4885SMN1; SMN2 2981/4885

“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.