SCHEMBL3230179

SCHEMBL3230179

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(C(CCCN2CCOCC2)NC(=O)Nc2ccsc2)cn1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.38
CD274 Q9NZQ7 3/20 0.38
EPHX2 P34913 6/20 0.36
TACR2 P21452 4/20 0.35
GRM4 Q14833 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
CASR P41180 1/20 0.35
PDCD1 Q15116 2/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL3230156 0.98 JAK2 (0.38) JAK2CD274EPHX2TACR2GRM4
SCHEMBL1496958 0.96 CD274 (0.39) JAK2CD274EPHX2
SCHEMBL1496855 0.92 CD274 (0.40) JAK2CD274EPHX2GRM4CASR
SCHEMBL4219747 0.90 CD274 (0.41) JAK2CD274EPHX2TACR2LMNA
SCHEMBL2477762 0.90 CD274 (0.45) JAK2CD274EPHX2TACR2MAPT
SCHEMBL1497057 0.89 ACHE (0.38) JAK2MAPT
SCHEMBL1496991 0.89 CSF1R (0.35) EPHX2
SCHEMBL3232291 0.89 EPHX2 (0.47) JAK2CD274EPHX2CASRCYP1A2
SCHEMBL4224157 0.88 CASR (0.43) JAK2CD274CASRALDH1A1
SCHEMBL4224300 0.88 RAB9A (0.41) JAK2CD274EPHX2LMNAMAPT

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 JAK2 3570/4885CD274 4707/4885EPHX2 4350/4885

“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.