SCHEMBL4117331

SCHEMBL4117331

Cc1cc2c(cc1C)C(CCC#N)N(c1ccc(F)cc1)C2=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
HTT P42858 2/20 0.35
HPGD P15428 1/20 0.35
RXFP1 Q9HBX9 1/20 0.33
HSD17B10 Q99714 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HTR7 P34969 1/20 0.32
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
CREBBP Q92793 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD11B1 P28845 1/20 0.32
GAA P10253 1/20 0.31
ALOX15 P16050 1/20 0.31
GRIA2 P42262 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL4117439 0.84 RXFP1 (0.38) HTTHPGDRXFP1NPC1RAB9A
SCHEMBL4117131 0.81 RXFP1 (0.38) HTTHPGDRXFP1NPC1RAB9A
SCHEMBL4117850 0.78 MCHR1 (0.32) HTTHPGDRXFP1HSD17B10NPC1
SCHEMBL4116895 0.78 RXFP1 (0.39) HTTHPGDRXFP1NPC1RAB9A
SCHEMBL4117329 0.75 KDM4E (0.37) KDM4EHTTHPGDRXFP1HSD17B10
SCHEMBL4118310 0.74 ALDH1A1 (0.45) KDM4EHTTHPGDRXFP1HSD17B10
SCHEMBL4124065 0.74 HTT (0.46) HTTHPGDHSD17B10ALDH1A1KMT2A
SCHEMBL4109515 0.74 RAB9A (0.45) KDM4EHTTHPGDRXFP1HSD17B10
SCHEMBL4109152 0.71 SMN1; SMN2 (0.42) HTTNPC1RAB9AALDH1A1KMT2A
SCHEMBL4124067 0.69 NPC1 (0.34) HTTHPGDHSD17B10NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1566378-B1 ISOINDOLINE DERIVATIVE MARUISHI PHARMA (JP) 2012-08-15 EP disclosed
CN-100548980-C The isoindoline derivative MARUISHI PHARMA (JP) 2009-10-14 CN disclosed
US-20090170835-A1 ISOINDOLINE DERIVATIVES MARUISHI PHARMACEUTICAL CO., LTD. 2009-07-02 US disclosed
US-7521451-B2 Isoindoline derivative MARUISHI PHARMACEUTICAL CO., LTD. (JP) 2009-04-21 US disclosed
US-20060052392-A1 e.g. 5,6-dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;intravenous, water-soluble compounds useful for manufacturing an anasthetic, sedative agents; side effect reduction MARUISHI PHARMACEUTICAL CO., LTD 2006-03-09 US disclosed
CN-1741995-A Isoindoline derivative MARUISHI PHARMA (JP) 2006-03-01 CN disclosed
EP-1566378-A1 ISOINDOLINE DERIVATIVE Maruishi Pharmaceutical Co., Ltd. (JP) 2005-08-24 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 (2 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-20060052392-A1 e.g. 5,6-dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;intravenous, water-soluble compounds useful for manufacturing an anasthetic, sedative agents; side effect reduction CYP3A5, OPRD1, CYP3A7 KDM4E 1010/4885HTT 1922/4885HPGD 530/4885
US-20090170835-A1 ISOINDOLINE DERIVATIVES OPRD1, OPRK1, OPRL1 KDM4E 2434/4885HTT 3641/4885HPGD 636/4885

“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.