SCHEMBL7073124

SCHEMBL7073124

CC(c1nc2cc(CN)ccc2[nH]1)c1nc2ccc(C(=O)NCCc3cccc4ccccc34)cc2n1C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 6/20 0.38
TRPV1 Q8NER1 1/20 0.37
CYP2C19 P33261 1/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MTNR1A P48039 3/20 0.36
NAMPT P43490 1/20 0.36
MTNR1B P49286 2/20 0.35
NQO2 P16083 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL7068118 0.89 TRPV1 (0.40) ACSS2TRPV1CYP2C19MAPTALDH1A1
SCHEMBL7070345 0.88 TRPV1 (0.37) ACSS2TRPV1CYP2C19MAPTSMN1; SMN2
SCHEMBL7067718 0.87 TRPV1 (0.40) ACSS2TRPV1MAPTALDH1A1MTNR1A
SCHEMBL7068312 0.86 ACSS2 (0.37) ACSS2TRPV1CYP2C19MAPTALDH1A1
SCHEMBL7072273 0.85 ADRB2 (0.40) ACSS2TRPV1MAPTTP53
SCHEMBL7075205 0.84 ACSS2 (0.39) ACSS2TRPV1CYP2C19MAPTSMN1; SMN2
SCHEMBL7072699 0.84 TRPV1 (0.40) ACSS2TRPV1CYP2C19MAPTSMN1; SMN2
SCHEMBL7069727 0.81 TRPV1 (0.36) ACSS2TRPV1CYP2C19MAPTALDH1A1
SCHEMBL7068356 0.79 ACSS2 (0.37) ACSS2TRPV1TP53ALDH1A1MTNR1A
SCHEMBL7072533 0.78 TRPV1 (0.47) TRPV1CYP2C19MAPTALDH1A1MTNR1A

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 5 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
EP-1019382-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS, INC. (US) 2000-07-19 EP disclosed
WO-1998045275-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS CORPORATION (US) 1998-10-15 WO 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.