SCHEMBL4119898

SCHEMBL4119898

Cc1cc2c(cc1C)C(CC(=S)N1CCN(C)CC1)N(c1ccc(F)cc1)C2=S

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM1A O60341 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL4123130 0.89 SMN1; SMN2 (0.41) ALDH1A1MAPTSMN1; SMN2HTTNPC1
SCHEMBL4109152 0.77 SMN1; SMN2 (0.42) ALDH1A1MAPTSMN1; SMN2HTTNPC1
SCHEMBL4123135 0.72 NPC1 (0.32) SMN1; SMN2NPC1LMNATP53RAB9A
SCHEMBL4124065 0.71 HTT (0.46) ALDH1A1MAPTSMN1; SMN2HTTLMNA
SCHEMBL4122815 0.71 MC4R (0.30) SMN1; SMN2NPC1LMNATP53RAB9A
SCHEMBL4115236 0.69 DRD4 (0.45) ALDH1A1
SCHEMBL4128092 0.67 ADAMTS5 (0.39) ALDH1A1SMN1; SMN2HTTKMT2AKDM1A
SCHEMBL4124067 0.67 NPC1 (0.34) ALDH1A1MAPTSMN1; SMN2HTTNPC1
SCHEMBL4116895 0.66 RXFP1 (0.39) ALDH1A1MAPTSMN1; SMN2HTTNPC1
SCHEMBL4124062 0.66 NPC1 (0.39) MAPTSMN1; SMN2HTTNPC1LMNA

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
EP-1566378-B1 ISOINDOLINE DERIVATIVE MARUISHI PHARMA (JP) 2012-08-15 EP 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
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 ALDH1A1 103/4885KDM4E 1010/4885MAPT 2980/4885
US-20090170835-A1 ISOINDOLINE DERIVATIVES OPRD1, OPRK1, OPRL1 ALDH1A1 397/4885KDM4E 2434/4885MAPT 1879/4885

“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.