SCHEMBL3000762

SCHEMBL3000762

O=C1c2cccc(Br)c2CCN1Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHPS P49366 2/20 0.60
SMN1; SMN2 Q16637 8/20 0.58
LMNA P02545 7/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
NCOA3 Q9Y6Q9 1/20 0.58
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 6/20 0.52
HTT P42858 3/20 0.52
KCNH2 Q12809 1/20 0.49
GRM2 Q14416 1/20 0.49
PKM P14618 2/20 0.48
GRM5 P41594 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
POLB P06746 1/20 0.47
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
MAPT P10636 1/20 0.46

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
SCHEMBL28739054 0.84 SMN1; SMN2 (0.52) DHPSSMN1; SMN2LMNAL3MBTL1NCOA3
SCHEMBL29644416 0.84 SMN1; SMN2 (0.52) DHPSSMN1; SMN2LMNAL3MBTL1NCOA3
SCHEMBL4991491 0.83 DHPS (0.60) DHPSSMN1; SMN2LMNAL3MBTL1NCOA3
SCHEMBL2998761 0.82 DHPS (0.62) DHPSSMN1; SMN2LMNAL3MBTL1NCOA3
SCHEMBL5840128 0.81 HTT (0.56) DHPSSMN1; SMN2LMNAL3MBTL1NCOA3
SCHEMBL5812457 0.81 DHPS (0.58) DHPSSMN1; SMN2LMNAL3MBTL1NCOA3
SCHEMBL5808987 0.80 DDB1 (0.52) DHPSSMN1; SMN2LMNAL3MBTL1NCOA3
SCHEMBL23952349 0.79 SMN1; SMN2 (0.89) DHPSSMN1; SMN2LMNAL3MBTL1NCOA3
SCHEMBL5811844 0.78 HTT (0.45) DHPSSMN1; SMN2LMNAL3MBTL1MEN1
SCHEMBL3651553 0.78 PARP10 (0.42) DHPSSMN1; SMN2LMNAL3MBTL1NCOA3

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
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
US-7144894-B2 Sulfonamide bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-05 US disclosed
WO-2006034480-A2 SULFONAMIDE BICYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-03-30 WO disclosed
US-20060063799-A1 Sulfonamide bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY 2006-03-23 US 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-20060063799-A1 Sulfonamide bicyclic compounds APP, BACE1, IAPP DHPS 1998/4885SMN1; SMN2 427/4885LMNA 1675/4885
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 473/4885SMN1; SMN2 867/4885LMNA 2606/4885

“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.