SCHEMBL3970733

SCHEMBL3970733

Cc1cc(CNc2ccc([NH])cc2)c2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.47
KDM4E B2RXH2 2/20 0.47
HTT P42858 2/20 0.47
RAB9A P51151 1/20 0.47
CYP1A2 P05177 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP2C19 P33261 1/20 0.45
NCF1 P14598 3/20 0.44
MAPT P10636 1/20 0.44
OPRK1 P41145 1/20 0.43
GLA P06280 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL3970739 0.86 NCF1 (0.51) SMN1; SMN2KDM4EHTTRAB9ACYP1A2
SCHEMBL3970289 0.83 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EHTTRAB9ACYP1A2
SCHEMBL3962723 0.82 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EHTTRAB9ACYP1A2
SCHEMBL3962717 0.82 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EHTTRAB9AALDH1A1
SCHEMBL6804417 0.80 ALDH1A1 (0.49) SMN1; SMN2KDM4EHTTRAB9ACYP1A2
SCHEMBL3966339 0.78 CYP1A2 (0.54) SMN1; SMN2HTTRAB9ACYP1A2ALDH1A1
SCHEMBL6788482 0.77 CYP1A2 (0.56) SMN1; SMN2KDM4EHTTRAB9ACYP1A2
SCHEMBL8232676 0.74 CYP1A2 (0.62) SMN1; SMN2KDM4EHTTRAB9ACYP1A2
SCHEMBL1366484 0.74 ADAM17 (0.60)
SCHEMBL6494921 0.73 CYP1A2 (0.60) SMN1; SMN2KDM4EHTTRAB9ACYP1A2

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
US-7595317-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-29 US disclosed
US-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES DUAN JINGWU 2007-07-19 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-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES TNF, MMP9, MMP3 SMN1; SMN2 3011/4885KDM4E 2397/4885HTT 4656/4885

“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.