SCHEMBL95530

SCHEMBL95530

CC(C)(Cl)C(=O)Nc1ccccc1NC(C)(C)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.41
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
KMT2A Q03164 5/20 0.40
PDK1 Q15118 4/20 0.40
PDK2 Q15119 4/20 0.40
PDK3 Q15120 4/20 0.40
PDK4 Q16654 4/20 0.40
MEN1 O00255 4/20 0.40
GLA P06280 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 3/20 0.40
MAPT P10636 2/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MDM4 O15151 1/20 0.39
MDM2 Q00987 1/20 0.39

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
SCHEMBL94957 0.81 GLA (0.37) TRPV1RAB9ANPC1KMT2APDK1
SCHEMBL94995 0.72 HSD17B2 (0.41) TRPV1KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL95242 0.70 PHGDH (0.56) RAB9ANPC1KMT2APDK1PDK2
SCHEMBL5188223 0.69 KMT2A (0.53) RAB9ANPC1KMT2APDK1PDK2
SCHEMBL5706504 0.66 CETP (0.71) RAB9AKMT2APDK1PDK2PDK3
SCHEMBL12666574 0.66 POLB (0.49) TRPV1RAB9ANPC1KMT2APDK1
SCHEMBL11136765 0.66 POLB (0.49) TRPV1RAB9ANPC1KMT2AMEN1
SCHEMBL95284 0.66 PDK1 (0.68) RAB9ANPC1KMT2APDK1PDK2
SCHEMBL10989896 0.66 MAPT (0.61) RAB9ANPC1KMT2APDK1PDK2
SCHEMBL9767724 0.66 KMT2A (0.79) TRPV1RAB9ANPC1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058085-A1 Deuterium Modified Benzimidazoles CONCERT PHARMACEUTICALS, INC. 2012-03-08 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 (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-20120058085-A1 Deuterium Modified Benzimidazoles POLRMT, EIF2AK2, DUT TRPV1 3554/4885RAB9A 3625/4885NPC1 955/4885

“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.