SCHEMBL3230843

SCHEMBL3230843

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(CN(CCCN2CCOCC2)C(=O)NC(F)Cc2ccccc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.45
TSHR P16473 3/20 0.40
ROCK2 O75116 1/20 0.39
NAMPT P43490 4/20 0.39
TACR2 P21452 5/20 0.39
AVPR1A P37288 1/20 0.38
POLB P06746 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 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
SCHEMBL3835305 0.90 NAMPT (0.44) USP2TSHRNAMPTTACR2AVPR1A
SCHEMBL3225529 0.90 USP2 (0.46) USP2TSHRROCK2NAMPTPOLB
SCHEMBL3232235 0.88 USP2 (0.44) USP2TSHRROCK2POLBOPRM1
SCHEMBL3218179 0.88 USP2 (0.43) USP2TSHRROCK2POLBOPRM1
SCHEMBL4217950 0.87 USP2 (0.44) USP2TSHRNAMPTTACR2AVPR1A
SCHEMBL3218367 0.87 USP2 (0.46) USP2TSHRROCK2NAMPTPOLB
SCHEMBL12249940 0.87 ALDH1A1 (0.49) USP2TSHRROCK2OPRM1OPRD1
SCHEMBL4224198 0.87 USP2 (0.47) USP2TSHRROCK2NAMPTPOLB
SCHEMBL12249981 0.86 USP2 (0.51) USP2TSHRROCK2NAMPTPOLB
SCHEMBL3235342 0.85 USP2 (0.53) USP2TSHRROCK2POLBOPRM1

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-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 US disclosed
EP-2135620-A1 OCULAR HYPOTENSIVE AGENT COMPRISING COMPOUND CAPABLE OF INHIBITING HISTONE DEACETYLASE AS ACTIVE INGREDIENT Santen Pharmaceutical Co., Ltd (JP) 2009-12-23 EP disclosed
EP-2133339-A1 NOVEL (2-AMINOPHENYL)PYRIDINECARBOXAMIDE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2009-12-16 EP 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-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT HDAC1, HDAC9, HDAC5 USP2 3063/4885TSHR 4241/4885ROCK2 125/4885

“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.