SCHEMBL5886885

SCHEMBL5886885

Cc1nc(N2CCNCC2)nc2c1ccc(=O)n2-c1ccc(C(=O)NCC2CCCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.41
GAA P10253 1/20 0.40
CHIT1 Q13231 1/20 0.39
MLYCD O95822 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CA2 P00918 1/20 0.38
POLB P06746 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HPGD P15428 3/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
HSD17B10 Q99714 2/20 0.37
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
KDM4E B2RXH2 1/20 0.37
THRB P10828 1/20 0.37
MAPT P10636 2/20 0.36

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
SCHEMBL5886775 0.93 MMP13 (0.43) MMP13GAACHIT1MLYCDHDAC6
SCHEMBL5886720 0.89 P2RX7 (0.41) MMP13GAACHIT1MLYCDHDAC6
SCHEMBL5887047 0.87 HPGD (0.54) GAAPOLBHPGDALDH1A1HSD17B10
SCHEMBL5886901 0.85 NAPEPLD (0.45) MMP13GAAPOLBHDAC3HDAC8
SCHEMBL5886897 0.84 USP28 (0.40) MLYCDHDAC3HDAC8HPGDALDH1A1
SCHEMBL5887102 0.84 ALDH1A1 (0.40) HPGDALDH1A1CYP1A2CASP1CASP7
SCHEMBL5886906 0.84 MMP13 (0.40) MMP13GAAMLYCDHDAC6CA2
SCHEMBL5886857 0.83 MAPT (0.45) POLBHPGDALDH1A1CYP1A2CASP1
SCHEMBL5887044 0.82 L3MBTL1 (0.42) GAAMLYCDHDAC6CA2HDAC3
SCHEMBL5886860 0.82 USP25 (0.46) HPGDALDH1A1CYP1A2CASP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7019002-B2 Substituted on 8th position with benzoic acid, ester or amide groups; anticancer agents PHARMACIA & UPJOHN, S.P.A. (IT) 2006-03-28 US claimed
US-20040009993-A1 Pyridopyrimidinones derivatives as telomerase inhibitors PHARMACIA ITALIA S.P.A. 2004-01-15 US claimed
US-7019002-B2 Substituted on 8th position with benzoic acid, ester or amide groups; anticancer agents PHARMACIA & UPJOHN, S.P.A. (IT) 2006-03-28 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-20040009993-A1 Pyridopyrimidinones derivatives as telomerase inhibitors TERT, TERF2, TERF2IP MMP13 3469/4885GAA 2823/4885CHIT1 4326/4885

“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.