SCHEMBL3000769

SCHEMBL3000769

CCCC(CCC)N1CCc2c(Br)cccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 2/20 0.41
PARP10 Q53GL7 1/20 0.39
PARP11 Q9NR21 1/20 0.39
HTT P42858 1/20 0.35
PIM1 P11309 1/20 0.35
CSNK1A1 P48729 1/20 0.35
CDK5 Q00535 1/20 0.35
ROCK1 Q13464 1/20 0.35
DYRK1A Q13627 1/20 0.35
LRRK2 Q5S007 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
GRM5 P41594 2/20 0.34
GRM1 Q13255 2/20 0.34
ACACB O00763 2/20 0.34
CYP1B1 Q16678 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL5811735 0.89 PARP10 (0.41) DHPSPARP10PARP11HTTPIM1
SCHEMBL3005582 0.87 CBLB (0.39) DHPSPARP10PARP11PIM1CSNK1A1
SCHEMBL2996231 0.82 DHPS (0.42) DHPSHTTMAPTKDM4EALOX15
SCHEMBL5811349 0.81 PARP10 (0.44) PARP10PARP11PIM1CSNK1A1CDK5
SCHEMBL3005093 0.79 DHPS (0.36) DHPSITGB3ITGA2BCRHR1
SCHEMBL3005921 0.79 MAPT (0.41) DHPSMAPTGRM5GRM1KDM4E
SCHEMBL5811844 0.76 HTT (0.45) DHPSPARP10PARP11HTTPIM1
SCHEMBL3005749 0.76 CRHR1 (0.37) DHPSITGB3ITGA2BCRHR1
SCHEMBL5840128 0.76 HTT (0.56) DHPSPARP10PARP11HTTPIM1
SCHEMBL3003306 0.75 HSD11B1 (0.41) PARP10PARP11HTTMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372864-B2 1-oxo-isoindoline-4-carboxamide and 1-oxo-1,2,3,4-tetrahydroisoquinoline-5-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2013-02-12 US disclosed
US-20100197725-A1 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 US disclosed
EP-2185511-A2 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-05-19 EP disclosed
WO-2009044019-A2 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-09 WO 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 (1 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-20100197725-A1 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF COX4I1, CNR2, CNR1 DHPS 473/4885PARP10 650/4885PARP11 288/4885

“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.