SCHEMBL12603812

SCHEMBL12603812

CCc1ccc(-c2ccc(C(F)(F)F)cc2)nc1Cl

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.43
▸ TRPV3 Q8NET8 9/20 0.41
▸ HEXA P06865 1/20 0.41
▸ HEXB P07686 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ TLR8 Q9NR97 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.39
▸ KIF11 P52732 2/20 0.39
▸ LTA4H P09960 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL13906450 0.79 CASP1 (0.42) CASP1TRPV3ADORA3KIF11LTA4H
SCHEMBL12603819 0.77 MCHR1 (0.43) TRPV3HEXAHEXBCTSSCTSK
SCHEMBL1549910 0.75 TRPV3 (0.41) TRPV3CTSSCTSKTLR8KIF11
SCHEMBL3747368 0.75 CASP1 (0.43) CASP1TRPV3ADORA3KIF11LTA4H
SCHEMBL5670148 0.75 RXRA (0.47) TRPV3HEXAHEXBADORA3
SCHEMBL22337682 0.74 TRPV3 (0.43) TRPV3LTA4H
SCHEMBL12266190 0.73 TRPV1 (0.40) ALDH1A1L3MBTL1
SCHEMBL1549173 0.73 TRPV3 (0.40) TRPV3CTSSCTSKTLR8KIF11
SCHEMBL1549480 0.73 TRPV3 (0.46) TRPV3ALDH1A1L3MBTL1
SCHEMBL12603777 0.72 KIF11 (0.50) KIF11

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455638-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2013-06-04 — — US disclosed
US-8455638-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2013-06-04 — — US disclosed
US-20110118282-A1 Soluble Guanylate Cyclase Activators MERCK SHARP & DOHME LLC 2011-05-19 — — US disclosed
US-20110118282-A1 Soluble Guanylate Cyclase Activators MERCK SHARP & DOHME LLC 2011-05-19 — — US disclosed
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2009-08-20 — — US disclosed
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2009-08-20 — — 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-20110118282-A1 Soluble Guanylate Cyclase Activators GUCY1B1, GUCY1A2, GUCY1A1 CASP1 2690/4885TRPV3 3291/4885HEXA 3718/4885
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B1, GUCY1A2, GUCY1A1 CASP1 2690/4885TRPV3 3291/4885HEXA 3718/4885

“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.

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