SCHEMBL5886937

SCHEMBL5886937

Cc1nc(NCc2ccco2)nc2c1ccc(=O)n2-c1ccc(C(=O)NCC2CCCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
HPGD P15428 4/20 0.41
CYP1A2 P05177 2/20 0.41
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 3/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MMP13 P45452 1/20 0.39
TP53 P04637 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL5887043 0.88 HPGD (0.53) ALDH1A1HPGDKMT2ASMN1; SMN2POLB
SCHEMBL5887028 0.88 TDP1 (0.52) ALDH1A1HPGDCYP1A2GAAKMT2A
SCHEMBL5887055 0.88 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2POLBMMP13TP53
SCHEMBL5886851 0.86 SMN1; SMN2 (0.45) ALDH1A1HPGDGAAKMT2ASMN1; SMN2
SCHEMBL5886743 0.86 MMP13 (0.42) ALDH1A1HPGDSMN1; SMN2POLBMMP13
SCHEMBL5887431 0.85 MMP13 (0.41) ALDH1A1HPGDSMN1; SMN2POLBMMP13
SCHEMBL5886835 0.85 MMP13 (0.43) ALDH1A1HPGDSMN1; SMN2TDP1POLB
SCHEMBL5887385 0.85 MAPT (0.41) ALDH1A1HPGDKMT2ASMN1; SMN2POLB
SCHEMBL5887360 0.85 MMP13 (0.41) ALDH1A1HPGDKMT2ASMN1; SMN2POLB
SCHEMBL5886726 0.84 TDP1 (0.43) ALDH1A1HPGDCYP1A2GAAKMT2A

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 ALDH1A1 1860/4885HPGD 1371/4885CYP1A2 3347/4885

“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.