SCHEMBL1270432

SCHEMBL1270432

CC(C)N1C(=O)C(I)CCc2cc(F)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.43
SCN9A Q15858 6/20 0.42
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
THRB P10828 1/20 0.41
NOTUM Q6P988 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
HSP90AA1 P07900 2/20 0.38
PDK1 Q15118 2/20 0.38
PDK2 Q15119 2/20 0.38
PDK3 Q15120 2/20 0.38
PDK4 Q16654 2/20 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
SCHEMBL13784023 0.78 ALDH1A1 (0.41) ALDH1A1ALOX15MAPK1SCN9AHTT
SCHEMBL3486153 0.75 NR3C2 (0.38)
SCHEMBL1270708 0.74 NOTUM (0.43) ALDH1A1ALOX15MAPK1HTTNPC1
SCHEMBL23316505 0.69 SRD5A1 (0.45) HTR2CHTR2B
SCHEMBL15964552 0.68 BRD4 (0.44) ALDH1A1MAPK1HTTNPC1RAB9A
SCHEMBL2632997 0.65 NOTUM (0.53) ALDH1A1ALOX15HTTNPC1RAB9A
SCHEMBL24359222 0.65 SRD5A1 (0.41) SCN9ANOTUMHTR2CHTR2B
SCHEMBL20344483 0.65 SRD5A1 (0.50) NOTUM
SCHEMBL13162977 0.64 ALDH1A1 (0.56) ALDH1A1MAPK1HTTNPC1RAB9A
SCHEMBL3485497 0.64 NR3C2 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888345-B2 Benzaepinones as sodium channel blockers MERCK SHARP & DOHME CORP. (US) 2011-02-15 US disclosed
US-7888345-B2 Benzaepinones as sodium channel blockers MERCK SHARP & DOHME CORP. (US) 2011-02-15 US disclosed
US-7888345-B2 Benzaepinones as sodium channel blockers MERCK SHARP & DOHME CORP. (US) 2011-02-15 US disclosed
US-20090181946-A1 Benzaepinones as Sodium Channel Blockers MERCK SHARP & DOHME CORP. 2009-07-16 US disclosed
US-20090181946-A1 Benzaepinones as Sodium Channel Blockers MERCK SHARP & DOHME CORP. 2009-07-16 US disclosed
US-20090181946-A1 Benzaepinones as Sodium Channel Blockers MERCK SHARP & DOHME CORP. 2009-07-16 US disclosed
EP-2032539-A2 BENZAZEPINONES AS SODIUM CHANNEL BLOCKERS Merck & Co., Inc. (US) 2009-03-11 EP disclosed
WO-2007145922-A2 BENZAZEPINONES AS SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2007-12-21 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 (1 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-20090181946-A1 Benzaepinones as Sodium Channel Blockers TRPV1, TRPA1, KCNN1 ALDH1A1 458/4885ALOX15 1823/4885MAPK1 2166/4885

“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.