Sugi Predict

Sugi Predict / Compounds / SCHEMBL3966342

SCHEMBL3966342

SCHEMBL3966342

Cc1cc(Cc2ccc(N)cc2)c2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 1/20 0.56
▸ CYP1A2 P05177 2/20 0.54
▸ BACE1 P56817 1/20 0.47
▸ ADAM17 P78536 6/20 0.47
▸ HTR6 P50406 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ LMNA P02545 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ GAA P10253 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MMP3 P08254 1/20 0.43
▸ MMP7 P09237 1/20 0.43
▸ MMP10 P09238 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
SCHEMBL7253268 0.89 CYP1A2 (0.63) NCF1CYP1A2BACE1ADAM17ALDH1A1
SCHEMBL4048648 0.87 CYP1A2 (0.58) NCF1CYP1A2ADAM17ALDH1A1LMNA
SCHEMBL4048646 0.86 CYP1A2 (0.56) NCF1CYP1A2ADAM17ALDH1A1SMN1; SMN2
SCHEMBL3966339 0.84 CYP1A2 (0.54) NCF1CYP1A2ADAM17ALDH1A1SMN1; SMN2
SCHEMBL3969728 0.82 CYP1A2 (0.51) NCF1CYP1A2ADAM17ALDH1A1SMN1; SMN2
SCHEMBL3970382 0.82 CYP1A2 (0.51) NCF1CYP1A2ADAM17ALDH1A1RAB9A
SCHEMBL3964970 0.82 CYP1A2 (0.51) NCF1CYP1A2ADAM17ALDH1A1SMN1; SMN2
SCHEMBL7257033 0.81 ADAM17 (0.55) CYP1A2ADAM17ALDH1A1SMN1; SMN2MAPT
SCHEMBL3967736 0.81 CYP1A2 (0.54) NCF1CYP1A2ADAM17ALDH1A1SMN1; SMN2
SCHEMBL3964963 0.81 CYP1A2 (0.50) NCF1CYP1A2ADAM17ALDH1A1SMN1; SMN2

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 4 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-7294624-B2 Osteoporosis; antiarthritic agents BRISTOL MYERS SQUIBB COMPANY (US) 2007-11-13 — — 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
WO-2003053941-A2 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-ALPHA CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 — — 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-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES TNF, MMP9, MMP3 NCF1 992/4885CYP1A2 1247/4885BACE1 72/4885

“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.