SCHEMBL4128092

SCHEMBL4128092

Cc1cc2c(cc1C)C(CC(=O)N1CCN(C)CC1)N(c1cccc(F)c1)C2=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 9/20 0.39
MMP2 P08253 5/20 0.39
KDM1A O60341 2/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
ATM Q13315 1/20 0.39
KMT2A Q03164 2/20 0.38
EGFR P00533 1/20 0.37
CSF1R P07333 1/20 0.37
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL4109152 0.89 SMN1; SMN2 (0.42) KDM1AMAOAMAOBKMT2AHTT
SCHEMBL13775392 0.89 ATM (0.40) ADAMTS5MMP2KDM1AMAOAMAOB
SCHEMBL4109186 0.85 GAA (0.41) ADAMTS5MMP2KDM1AMAOAMAOB
SCHEMBL4118353 0.83 NOTUM (0.38) KMT2AHTTALDH1A1
SCHEMBL3745282 0.83 ATM (0.43) ADAMTS5MMP2KDM1AMAOAMAOB
SCHEMBL4117410 0.81 FAAH (0.41) ADAMTS5MMP2ATMKMT2AEGFR
SCHEMBL4124065 0.79 HTT (0.46) ADAMTS5KDM1AMAOBKMT2AHTT
SCHEMBL4123130 0.78 SMN1; SMN2 (0.41) ADAMTS5KDM1AMAOAMAOBKMT2A
SCHEMBL4128095 0.74 HSD11B1 (0.33) KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL4127465 0.74 MEN1 (0.42) ATMKMT2ASMN1; SMN2ALDH1A1

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
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-20080021042-A1 Composition For Controlling Neuropathic Pain MARUISHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 US disclosed
EP-1749817-A1 NEUROGENIC PAIN CONTROL AGENT COMPOSITION Maruishi Pharmaceutical Co., Ltd. (JP) 2007-02-07 EP 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 (3 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 ADAMTS5 3317/4885MMP2 2761/4885KDM1A 545/4885
US-20080021042-A1 Composition For Controlling Neuropathic Pain GAP43, SCN10A, SCN2A ADAMTS5 3668/4885MMP2 3049/4885KDM1A 4158/4885
US-20090170835-A1 ISOINDOLINE DERIVATIVES OPRD1, OPRK1, OPRL1 ADAMTS5 4698/4885MMP2 4424/4885KDM1A 1950/4885

“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.