SCHEMBL3745282

SCHEMBL3745282

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
HRH3 Q9Y5N1 1/20 0.39
TP53 P04637 1/20 0.38
KMT2A Q03164 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
EGFR P00533 1/20 0.37
CSF1R P07333 1/20 0.37
MMP2 P08253 3/20 0.36
ADAMTS5 Q9UNA0 3/20 0.36
FAAH O00519 1/20 0.36
CACNA2D1 P54289 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 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
SCHEMBL4117410 0.84 FAAH (0.41) ATMHRH3TP53KMT2ACYP2D6
SCHEMBL4128092 0.83 ADAMTS5 (0.39) ATMKMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL4110694 0.82 NOTUM (0.40) TP53FAAHLMNAPOLB
SCHEMBL4109186 0.81 GAA (0.41) ATMKMT2AEGFRCSF1RMMP2
SCHEMBL4127465 0.76 MEN1 (0.42) ATMTP53KMT2AFAAHPOLB
SCHEMBL4128095 0.75 HSD11B1 (0.33) KMT2ACYP2D6CYP2C9CYP2C19CACNA2D1
SCHEMBL4118353 0.73 NOTUM (0.38) KMT2ALMNA
SCHEMBL13775392 0.71 ATM (0.40) ATMHRH3KMT2ACYP2D6CYP2C9
SCHEMBL4117459 0.71 NOTUM (0.37) LMNAPOLB
SCHEMBL4109152 0.71 SMN1; SMN2 (0.42) TP53KMT2AMAPK1LMNAPOLB

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 10 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-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US disclosed
CN-101528690-A Isoindoline derivatives for the treatment of arrhythmias ASTRAZENECA AB (SE) 2009-09-09 CN disclosed
US-20090170835-A1 ISOINDOLINE DERIVATIVES MARUISHI PHARMACEUTICAL CO., LTD. 2009-07-02 US disclosed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP disclosed
US-7521451-B2 Isoindoline derivative MARUISHI PHARMACEUTICAL CO., LTD. (JP) 2009-04-21 US disclosed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO disclosed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 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 (4 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 ATM 2769/4885HRH3 772/4885TP53 3654/4885
US-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 ATM 4357/4885HRH3 2171/4885TP53 3912/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 ATM 2001/4885HRH3 819/4885TP53 3602/4885
US-20090170835-A1 ISOINDOLINE DERIVATIVES OPRD1, OPRK1, OPRL1 ATM 3107/4885HRH3 607/4885TP53 4669/4885

“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.