SCHEMBL3277968

SCHEMBL3277968

N#Cc1cc(C(N)=O)ccc1Br

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.44
PARP15 Q460N3 2/20 0.42
PARP10 Q53GL7 2/20 0.42
PARP2 Q9UGN5 2/20 0.42
GRM4 Q14833 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MYC P01106 1/20 0.41
CYP11B2 P19099 1/20 0.39
LCK P06239 1/20 0.39
CHUK O15111 1/20 0.39
TNKS O95271 1/20 0.39
PARP14 Q460N5 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
CA2 P00918 1/20 0.37
TSHR P16473 1/20 0.37
CSNK2A1 P68400 1/20 0.36
HIPK2 Q9H2X6 1/20 0.36

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
SCHEMBL979205 0.83 HPGD (0.48) GRM4CA2TSHR
SCHEMBL2973768 0.82 PARP15 (0.46) PARP1PARP15PARP10PARP2MAPK1
SCHEMBL22501675 0.81 GRM4 (0.44) GRM4CA2
SCHEMBL22811356 0.81 GRM4 (0.44) GRM4SMN1; SMN2CYP11B2
SCHEMBL12503762 0.79 PARP15 (0.43) PARP1PARP15PARP10PARP2MYC
SCHEMBL6816025 0.79 PARP15 (0.43) PARP1PARP15PARP10PARP2MAPK1
SCHEMBL17663953 0.79 SLC22A12 (0.49) PARP1PARP15PARP10PARP2MYC
SCHEMBL8139092 0.78 VCAM1 (0.46) PARP1PARP15PARP10PARP2GRM4
SCHEMBL3169736 0.78 PARP1 (0.44) PARP1PARP15PARP10PARP2MYC
SCHEMBL3085415 0.78 CYP11B2 (0.49) PARP1PARP15PARP10PARP2GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024028243-A1 PYRAZOLO PESTICIDAL COMPOUNDS BASF SE (DE) 2024-02-08 WO disclosed
US-20100130484-A1 NOVEL BICYCLIC SULFONAMIDE DERIVATIVES WHICH ARE L-CPT1 INHIBITORS ACKERMANN JEAN 2010-05-27 US disclosed
US-7696200-B2 Bicyclic sulfonamide derivatives which are L-CPT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US disclosed
EP-1996563-A1 HETEROBICYCLIC SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2008-12-03 EP disclosed
WO-2007093507-A1 HETEROBICYCLIC SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO disclosed
US-20070191603-A1 Novel bicyclic sulfonamide derivatives which are L-CPT1 inhibitors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-16 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-20100130484-A1 NOVEL BICYCLIC SULFONAMIDE DERIVATIVES WHICH ARE L-CPT1 INHIBITORS CPT1A, CPT1B, CPT2 PARP1 1086/4885PARP15 1682/4885PARP10 1693/4885
US-20070191603-A1 Novel bicyclic sulfonamide derivatives which are L-CPT1 inhibitors CPT1A, CPT1B, CPT2 PARP1 1086/4885PARP15 1682/4885PARP10 1693/4885

“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.