SCHEMBL4122815

SCHEMBL4122815

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

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL4123135 0.91 NPC1 (0.32) MC4RNPC1LMNATP53RAB9A
SCHEMBL4115233 0.73 NPC1 (0.34) MC4RNPC1LMNATP53RAB9A
SCHEMBL4119898 0.71 ALDH1A1 (0.35) NPC1LMNATP53RAB9ASMN1; SMN2
SCHEMBL4128095 0.69 HSD11B1 (0.33)
SCHEMBL4124067 0.67 NPC1 (0.34) MC4RNPC1LMNATP53RAB9A
SCHEMBL4124062 0.66 NPC1 (0.39) NPC1LMNATP53RAB9ASMN1; SMN2
SCHEMBL4115236 0.62 DRD4 (0.45)
SCHEMBL4109152 0.60 SMN1; SMN2 (0.42) NPC1LMNATP53RAB9ASMN1; SMN2
SCHEMBL4124065 0.59 HTT (0.46) LMNATP53SMN1; SMN2
SCHEMBL4126882 0.59 RXFP1 (0.36) NPC1LMNATP53RAB9ASMN1; SMN2

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 MC4R 3571/4885NPC1 3638/4885LMNA 3570/4885
US-20090170835-A1 ISOINDOLINE DERIVATIVES OPRD1, OPRK1, OPRL1 MC4R 1604/4885NPC1 2942/4885LMNA 3803/4885

“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.