SCHEMBL6319382

SCHEMBL6319382

[NH]CCCCc1cccnc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
HRH1 P35367 2/20 0.65
CYP2A6 P11509 1/20 0.63
TBXAS1 P24557 7/20 0.59
CHRNA7 P36544 2/20 0.57
HRH4 Q9H3N8 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49

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
SCHEMBL724788 0.89 TDP1 (0.80) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL29485675 0.89 TDP1 (0.80) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL3048356 0.87 HRH1 (0.81) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL29485667 0.87 HRH1 (0.81) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL725483 0.87 HRH1 (0.81) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL2845851 0.87 HRH1 (0.81) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL8658187 0.87 HRH1 (0.81) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL29485634 0.87 HRH1 (0.81) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL1592572 0.85
SCHEMBL2843094 0.85 CYP2A6 (0.76) TDP1L3MBTL1HRH1CYP2A6TBXAS1

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-6900214-B2 Cyano-substituted dihydropyrimidine compounds and their use to treat diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-31 US claimed
US-20020143026-A1 Cyano-substituted dihydropyrimidine compounds and their use to treat diseases BRISTOL-MYERS SQUIBB COMPANY 2002-10-03 US claimed
US-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-01-20 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 (2 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-20020143026-A1 Cyano-substituted dihydropyrimidine compounds and their use to treat diseases CCNB1, BUB1B, BUB1 TDP1 312/4885L3MBTL1 1533/4885HRH1 1764/4885
US-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments GLP1R, GIPR, GCGR TDP1 4057/4885L3MBTL1 1957/4885HRH1 103/4885

“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.