SCHEMBL7075205

SCHEMBL7075205

Cn1c(C(=O)c2nc3cc(CN)ccc3[nH]2)nc2ccc(C(=O)NCCc3cccc4ccccc34)cc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 3/20 0.39
TRPV1 Q8NER1 1/20 0.38
CYP2C19 P33261 1/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TP53 P04637 1/20 0.37
MTNR1A P48039 4/20 0.37
NAMPT P43490 1/20 0.36
MTNR1B P49286 2/20 0.36
NQO2 P16083 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ATM Q13315 1/20 0.36
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
ENPP2 Q13822 1/20 0.35

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
SCHEMBL7072608 0.88 KLK5 (0.39) ACSS2TRPV1CYP2C19MAPTSMN1; SMN2
SCHEMBL7072699 0.85 TRPV1 (0.40) ACSS2TRPV1CYP2C19MAPTSMN1; SMN2
SCHEMBL7073124 0.84 ACSS2 (0.38) ACSS2TRPV1CYP2C19MAPTSMN1; SMN2
SCHEMBL7069096 0.79 OPRM1 (0.40) ACSS2TRPV1CYP2C19MAPTTP53
SCHEMBL7072533 0.79 TRPV1 (0.47) TRPV1CYP2C19MAPTMTNR1ANAMPT
SCHEMBL7072408 0.78 ACSS2 (0.37) ACSS2TRPV1CYP2C19TP53MTNR1A
SCHEMBL7072215 0.76 OPRM1 (0.36) ACSS2TRPV1MAPTSMN1; SMN2TP53
SCHEMBL7070421 0.76 ACSS2 (0.39) ACSS2TRPV1CYP2C19MAPTMTNR1A
SCHEMBL7068332 0.73 F2 (0.40) TRPV1MAPTSMN1; SMN2TP53MTNR1A
SCHEMBL7068118 0.73 TRPV1 (0.40) ACSS2TRPV1CYP2C19MAPTMTNR1A

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-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders AXYS PHARMACEUTICALS, INC. (US) 2003-11-13 US disclosed
US-6562854-B2 Antiinflammatory agents; respiratory system disorders AXYS PHARMACEUTICALS, INC. 2003-05-13 US disclosed
US-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity Celera Corporation 2001-12-20 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-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity CMA1, CPA3, TPSG1 ACSS2 609/4885TRPV1 823/4885CYP2C19 798/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 ACSS2 746/4885TRPV1 954/4885CYP2C19 138/4885

“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.