SCHEMBL5886775

SCHEMBL5886775

Cc1nc(N2CCCC2)nc2c1ccc(=O)n2-c1ccc(C(=O)NCC2CCCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.43
GAA P10253 1/20 0.43
MLYCD O95822 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CA2 P00918 1/20 0.40
CHIT1 Q13231 1/20 0.39
POLB P06746 2/20 0.39
HDAC3 O15379 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
MAPK14 Q16539 3/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RAF1 P04049 1/20 0.39
HSPB1 P04792 1/20 0.39
LYN P07948 1/20 0.39
SLC2A1 P11166 1/20 0.38
NAPEPLD Q6IQ20 2/20 0.37

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
SCHEMBL5886885 0.93 MMP13 (0.41) MMP13GAAMLYCDHDAC6CA2
SCHEMBL5886720 0.92 P2RX7 (0.41) MMP13GAAMLYCDHDAC6CA2
SCHEMBL5886901 0.88 NAPEPLD (0.45) MMP13GAAPOLBHDAC3HDAC8
SCHEMBL5886906 0.87 MMP13 (0.40) MMP13GAAMLYCDHDAC6CA2
SCHEMBL5886952 0.86 HPGD (0.58) POLBMAPTLMNAHPGDRAB9A
SCHEMBL5886868 0.84 CNR2 (0.41) GAAMLYCDPOLBHDAC3HDAC8
SCHEMBL5886823 0.84 SMYD3 (0.48) POLBMAPTLMNAHPGDRAB9A
SCHEMBL5886779 0.83 MAPT (0.44) HDAC6POLBHDAC3HDAC8MAPT
SCHEMBL5887385 0.83 MAPT (0.41) MMP13MLYCDHDAC6CA2POLB
SCHEMBL5886743 0.82 MMP13 (0.42) MMP13MLYCDHDAC6CA2POLB

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 2823/4885MLYCD 3072/4885

“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.