SCHEMBL3003289

SCHEMBL3003289

O=C1c2cccc(Br)c2CCN1CCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.42
PARP11 Q9NR21 1/20 0.42
DHPS P49366 1/20 0.41
SMN1; SMN2 Q16637 7/20 0.40
HRH3 Q9Y5N1 1/20 0.40
HTT P42858 3/20 0.40
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HEXA P06865 1/20 0.39
HEXB P07686 1/20 0.39
MAPT P10636 1/20 0.38
PIM1 P11309 1/20 0.37
CSNK1A1 P48729 1/20 0.37
CDK5 Q00535 1/20 0.37

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
SCHEMBL5811844 0.85 HTT (0.45) PARP10PARP11DHPSSMN1; SMN2HRH3
SCHEMBL5839984 0.83 ALDH1A1 (0.51) PARP10PARP11SMN1; SMN2HRH3HTT
SCHEMBL5840128 0.82 HTT (0.56) PARP10PARP11DHPSSMN1; SMN2HRH3
SCHEMBL2995748 0.82 ALDH1A1 (0.47) PARP10PARP11SMN1; SMN2HTTDRD2
SCHEMBL3007616 0.82 DRD2 (0.44) PARP10PARP11SMN1; SMN2HRH3HTT
SCHEMBL3002188 0.80 HTT (0.44) PARP10PARP11SMN1; SMN2HRH3HTT
SCHEMBL3651553 0.79 PARP10 (0.42) PARP10PARP11DHPSSMN1; SMN2HRH3
SCHEMBL3648486 0.78 PARP10 (0.44) PARP10PARP11DHPSSMN1; SMN2HTT
SCHEMBL3000762 0.78 DHPS (0.60) DHPSSMN1; SMN2HTTMEN1KMT2A
SCHEMBL5839594 0.78 GRM2 (0.49) PARP10PARP11SMN1; SMN2HTTALDH1A1

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 PARP10 650/4885PARP11 288/4885DHPS 473/4885

“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.