SCHEMBL3230832

SCHEMBL3230832

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(CN(CCCN2CCOCC2)C(=O)NCCc2ccccc2F)cn1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.46
MAPT P10636 2/20 0.46
USP2 O75604 2/20 0.44
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.41
HPGD P15428 2/20 0.41
PKM P14618 2/20 0.40
BCL3 P20749 1/20 0.40
POLB P06746 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
MAPK1 P28482 1/20 0.38
KDM1A O60341 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
SCHEMBL3230881 0.92 KDM1A (0.44) HSD17B10MAPTUSP2ALDH1A1KDM4E
SCHEMBL3218367 0.91 USP2 (0.46) HSD17B10MAPTUSP2ALDH1A1KDM4E
SCHEMBL2496709 0.91 HSD17B10 (0.46) HSD17B10MAPTALDH1A1KDM4ELMNA
SCHEMBL3225988 0.90 USP2 (0.47) MAPTUSP2ALDH1A1KDM4ELMNA
SCHEMBL12249940 0.90 ALDH1A1 (0.49) HSD17B10MAPTUSP2ALDH1A1KDM4E
SCHEMBL3228223 0.89 USP2 (0.44) HSD17B10MAPTUSP2ALDH1A1KDM4E
SCHEMBL3227861 0.89 USP2 (0.43) HSD17B10MAPTUSP2ALDH1A1KDM4E
SCHEMBL4217943 0.88 HSD17B10 (0.49) HSD17B10MAPTUSP2ALDH1A1KDM4E
SCHEMBL13585733 0.88 HSD17B10 (0.41) HSD17B10MAPTUSP2ALDH1A1KDM4E
SCHEMBL3234400 0.88 HSD17B10 (0.44) HSD17B10MAPTUSP2ALDH1A1KDM4E

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 5 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
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
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 HSD17B10 625/4885MAPT 544/4885USP2 3063/4885

“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.