SCHEMBL5886702

SCHEMBL5886702

Cc1nc(N2CCN(Cc3ccccc3)CC2)nc2c1ccc(=O)n2-c1ccc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK8 P45983 2/20 0.41
TRPA1 O75762 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BCHE P06276 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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 0.93 ALDH1A1 (0.47) ALDH1A1LMNAMEN1KMT2ATRPA1
SCHEMBL5886790 0.93 OPRM1 (0.43) ALDH1A1MEN1KMT2AMAPK8OPRM1
SCHEMBL5887151 0.90 GBA1 (0.39) ALDH1A1MEN1KMT2AMAPK8OPRM1
SCHEMBL5886829 0.90 RAB9A (0.44) ALDH1A1LMNAMAPK8SMN1; SMN2EPHX2
SCHEMBL5886997 0.90 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AMAPK8TRPA1
SCHEMBL5887039 0.89 EPHX2 (0.41) ALDH1A1LMNAMEN1KMT2AMAPK8
SCHEMBL5887027 0.89 KMT2A (0.45) ALDH1A1LMNAMEN1KMT2AMAPK8
SCHEMBL5886869 0.89 HIF1A (0.47) ALDH1A1MEN1KMT2ATRPA1EPHX2
SCHEMBL5886996 0.88 MEN1 (0.46) ALDH1A1LMNAMEN1KMT2AMAPK8
SCHEMBL5887090 0.88 CTNNB1 (0.47) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2

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 1860/4885LMNA 711/4885MEN1 2183/4885

“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.