SCHEMBL3230756

SCHEMBL3230756

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(C(CCCCN2CCOCC2)NC(=O)Nc2cccnc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.46
CASR P41180 2/20 0.42
NAMPT P43490 2/20 0.38
CD274 Q9NZQ7 1/20 0.38
USP2 O75604 1/20 0.38
MTOR P42345 1/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
JAK2 O60674 1/20 0.36

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
SCHEMBL3232291 0.98 EPHX2 (0.47) EPHX2CASRNAMPTCD274USP2
SCHEMBL4219747 0.91 CD274 (0.41) EPHX2CD274MTORCYP3A4CYP2C9
SCHEMBL2474232 0.90 NAMPT (0.47) EPHX2CASRNAMPTCD274MTOR
SCHEMBL3234541 0.89 CASR (0.44) EPHX2CASRCD274POLBJAK2
SCHEMBL3230156 0.89 JAK2 (0.38) EPHX2CASRCD274CYP3A4CYP2C9
SCHEMBL3224363 0.88 TACR2 (0.44) EPHX2CD274JAK2
SCHEMBL3263866 0.88 CD274 (0.40) EPHX2CD274USP2SMN1; SMN2JAK2
SCHEMBL3218892 0.88 QPCT (0.41) EPHX2CD274CYP2C9JAK2
SCHEMBL3225953 0.87 EPHX2 (0.45) EPHX2CD274JAK2
SCHEMBL4224540 0.87 EPHX2 (0.48) EPHX2CASRNAMPTCYP3A4CYP2C9

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 EPHX2 4350/4885CASR 4152/4885NAMPT 719/4885

“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.