SCHEMBL4126882

SCHEMBL4126882

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
NOTUM Q6P988 1/20 0.34
P2RX3 P56373 5/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
ALOX15 P16050 1/20 0.34
TP53 P04637 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33
CREBBP Q92793 1/20 0.33
TRPA1 O75762 1/20 0.33
HSD11B1 P28845 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL4124062 0.82 NPC1 (0.39) NPC1RAB9ATP53KMT2AHTT
SCHEMBL4117329 0.81 KDM4E (0.37) RXFP1NPC1RAB9AP2RX3ALDH1A1
SCHEMBL4117847 0.78 NPC1 (0.32) RXFP1NPC1RAB9AP2RX3ALDH1A1
SCHEMBL4109515 0.78 RAB9A (0.45) RXFP1NPC1RAB9AALDH1A1GAA
SCHEMBL4115233 0.77 NPC1 (0.34) NPC1RAB9AALDH1A1TP53HPGD
SCHEMBL4116895 0.77 RXFP1 (0.39) RXFP1NPC1RAB9ANOTUMP2RX3
SCHEMBL4117131 0.75 RXFP1 (0.38) RXFP1NPC1RAB9ANOTUMP2RX3
SCHEMBL4117439 0.72 RXFP1 (0.38) RXFP1NPC1RAB9AALDH1A1GAA
SCHEMBL27628691 0.72 ALDH1A1 (0.47) RXFP1NPC1RAB9AP2RX3ALDH1A1
SCHEMBL4118310 0.71 ALDH1A1 (0.45) RXFP1NPC1RAB9AP2RX3ALDH1A1

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 RXFP1 1005/4885NPC1 3638/4885RAB9A 3516/4885
US-20090170835-A1 ISOINDOLINE DERIVATIVES OPRD1, OPRK1, OPRL1 RXFP1 1200/4885NPC1 2942/4885RAB9A 3221/4885

“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.