SCHEMBL3969799

SCHEMBL3969799

Cc1nc2ccc(Cl)cc2n1CO

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.59
▸ RAB9A P51151 4/20 0.49
▸ GALR3 O60755 1/20 0.49
▸ NR2F2 P24468 1/20 0.49
▸ ACSS2 Q9NR19 1/20 0.47
▸ MAP3K14 Q99558 1/20 0.46
▸ NPC1 O15118 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PTPN1 P18031 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ DCTPP1 Q9H773 1/20 0.43
▸ CASP3 P42574 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42

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
SCHEMBL3967606 0.87 KMT2A (0.77) KMT2ARAB9AGALR3NR2F2NPC1
SCHEMBL7508681 0.82 KMT2A (0.57) KMT2ARAB9AGALR3NR2F2ACSS2
SCHEMBL8427653 0.75 KDM4E (0.55) KMT2ARAB9AMAP3K14NPC1KDM4E
SCHEMBL31498004 0.75 TNF (0.64) RAB9AGALR3NR2F2NPC1SMN1; SMN2
SCHEMBL4191641 0.75 TNF (0.64) RAB9AGALR3NR2F2NPC1SMN1; SMN2
SCHEMBL7260548 0.74 KMT2A (1.00) KMT2ARAB9AGALR3NR2F2NPC1
SCHEMBL2020767 0.74 ACSS2 (0.54) KMT2ARAB9AACSS2NPC1KDM4E
SCHEMBL3964662 0.74 MEN1 (0.53) KMT2ARAB9ANPC1CYP1A2GAA
SCHEMBL16756358 0.73 GALR3 (0.46) KMT2ARAB9AGALR3NR2F2NPC1
SCHEMBL11195213 0.72 KMT2A (0.83) KMT2ARAB9AGALR3NR2F2NPC1

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 5 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
WO-2003040103-A1 β-SULFONE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-α CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2003-05-15 — — 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 KMT2A 3445/4885RAB9A 1309/4885GALR3 1701/4885

“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.

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