SCHEMBL7069727

SCHEMBL7069727

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.36
ACSS2 Q9NR19 6/20 0.36
MTNR1A P48039 2/20 0.35
CYP2C19 P33261 1/20 0.34
MAPT P10636 2/20 0.34
NOD1 Q9Y239 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 1/20 0.33
NQO2 P16083 1/20 0.33
MTNR1B P49286 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL7070345 0.93 TRPV1 (0.37) TRPV1ACSS2MTNR1ACYP2C19MAPT
SCHEMBL7068356 0.86 ACSS2 (0.37) TRPV1ACSS2MTNR1ANOD1ALDH1A1
SCHEMBL7128797 0.85 TRPV1 (0.34) TRPV1ACSS2MTNR1ACYP2C19NOD1
SCHEMBL7071888 0.85 ACSS2 (0.41) TRPV1ACSS2MTNR1ACYP2C19NOD1
SCHEMBL7068332 0.84 F2 (0.40) TRPV1MTNR1AMAPTNOD1ALDH1A1
SCHEMBL7072608 0.83 KLK5 (0.39) TRPV1ACSS2MTNR1ACYP2C19MAPT
SCHEMBL7073124 0.81 ACSS2 (0.38) TRPV1ACSS2MTNR1ACYP2C19MAPT
SCHEMBL7071907 0.80 NOD1 (0.38) TRPV1ACSS2MTNR1ACYP2C19NOD1
SCHEMBL7072273 0.79 ADRB2 (0.40) TRPV1ACSS2MAPT
SCHEMBL7068312 0.79 ACSS2 (0.37) TRPV1ACSS2CYP2C19MAPTALDH1A1

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 TRPV1 823/4885ACSS2 609/4885MTNR1A 440/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 TRPV1 954/4885ACSS2 746/4885MTNR1A 476/4885

“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.