SCHEMBL3967680

SCHEMBL3967680

COn1c(Cl)nc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
RAB9A P51151 4/20 0.46
NPC1 O15118 2/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
LMNA P02545 2/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP2D6 P10635 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
POLB P06746 1/20 0.40
GALR3 O60755 1/20 0.39
NR2F2 P24468 1/20 0.39

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
SCHEMBL3969616 0.78 HTT (0.52) SMN1; SMN2RAB9ANPC1CASP3SENP8
SCHEMBL12473755 0.78 SMN1; SMN2 (0.51) SMN1; SMN2LMNAKMT2AHPGDCYP1A2
SCHEMBL16752435 0.77 SMN1; SMN2 (0.44) SMN1; SMN2RAB9ANPC1CASP3SENP8
SCHEMBL11669582 0.77 NOS2 (0.55) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL3974206 0.77 SMN1; SMN2 (0.44) SMN1; SMN2RAB9ANPC1CASP3SENP8
SCHEMBL28856696 0.77 SMN1; SMN2 (0.44) SMN1; SMN2RAB9ANPC1CASP3SENP8
SCHEMBL1053419 0.75 SMN1; SMN2 (1.00) SMN1; SMN2RAB9ANPC1LMNAKMT2A
SCHEMBL3972146 0.75 ALDH1A1 (0.50) SMN1; SMN2POLB
SCHEMBL3969472 0.74 RAB9A (0.68) SMN1; SMN2RAB9ANPC1CASP3SENP8
SCHEMBL3968920 0.74 L3MBTL1 (0.56) LMNAMAPTCYP1A2CYP2C9CYP2C19

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 SMN1; SMN2 3011/4885RAB9A 1309/4885NPC1 2541/4885

“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.