SCHEMBL5886997

SCHEMBL5886997

COC(=O)c1ccc(CNC(=O)c2ccc(-n3c(=O)ccc4c(C)nc(N5CCN(Cc6ccccc6)CC5)nc43)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
TRPA1 O75762 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
CHRM4 P08173 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK8 P45983 2/20 0.41
MAPK9 P45984 2/20 0.41
MAPK10 P53779 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BCHE P06276 1/20 0.41
TSHR P16473 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL5887366 0.94 ALDH1A1 (0.47) ALDH1A1DRD2DRD3TRPA1KMT2A
SCHEMBL5886964 0.92 MAPK8 (0.45) ALDH1A1KMT2AMEN1MAPTMAPK8
SCHEMBL5886869 0.90 HIF1A (0.47) ALDH1A1TRPA1KMT2AMEN1CHRM4
SCHEMBL5886974 0.90 SMN1; SMN2 (0.49) ALDH1A1DRD2DRD3MAPTL3MBTL1
SCHEMBL5887019 0.90 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1MAPTMAPK8
SCHEMBL5886702 0.90 ALDH1A1 (0.43) ALDH1A1DRD2DRD3TRPA1KMT2A
SCHEMBL5886700 0.89 MGLL (0.42) ALDH1A1KMT2AMEN1MAPTMAPK8
SCHEMBL5886804 0.89 SMN1; SMN2 (0.42) ALDH1A1KMT2AMEN1MAPTMAPK8
SCHEMBL5886773 0.89 KMT2A (0.46) ALDH1A1KMT2AMEN1MAPTMAPK8
SCHEMBL5887578 0.88 SMN1; SMN2 (0.42) ALDH1A1KMT2AMEN1MAPTMAPK8

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 1860/4885DRD2 4394/4885DRD3 3875/4885

“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.