SCHEMBL5140141

SCHEMBL5140141

C=CCc1cccc(-c2ncccn2)c1CC=C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.49
GABRB2 P47870 1/20 0.49
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 2/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
AKR1B1 P15121 1/20 0.39
CASP6 P55212 1/20 0.35
ADRA2B P18089 3/20 0.35
ADRA2C P18825 3/20 0.35
ADRA2A P08913 2/20 0.35
HTR1A P08908 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.33
CYP1A2 P05177 2/20 0.32

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
SCHEMBL5139620 0.84 GABRA1 (0.48) GABRA1GABRB2MEN1KMT2AALDH1A1
SCHEMBL2362269 0.83 GABRA1 (0.61) GABRA1GABRB2MEN1KMT2AALDH1A1
SCHEMBL5403129 0.78 GABRA1 (0.55) GABRA1GABRB2MEN1KMT2AALDH1A1
SCHEMBL18136 0.77 GABRA1 (0.56) GABRA1GABRB2MEN1KMT2AALDH1A1
SCHEMBL860550 0.76 GABRA1 (0.47) GABRA1GABRB2MEN1KMT2AALDH1A1
SCHEMBL2362467 0.75 GABRA1 (0.52) GABRA1GABRB2MEN1KMT2AALDH1A1
SCHEMBL9777394 0.74 GABRA1 (0.50) GABRA1GABRB2MEN1KMT2AALDH1A1
SCHEMBL1646866 0.72 GABRA1 (0.49) GABRA1GABRB2MEN1KMT2AALDH1A1
Bromide SCHEMBL27823869 0.72 GABRA1 (0.49) GABRA1GABRB2MEN1KMT2AKDM4E
SCHEMBL9003490 0.72 GABRA1 (0.47) GABRA1GABRB2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224183-B1 HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL MYERS SQUIBB CO (US) 2005-12-28 EP claimed
US-20050137216-A1 Heterocyclic sodium/proton exchange inhibitors and method AHMAD SALEEM (US) 2005-06-23 US claimed
US-6887870-B1 Heterocyclic sodium/proton exchange inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-03 US claimed
EP-1224183-A2 HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2002-07-24 EP claimed
WO-2001027107-A2 HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-04-19 WO claimed
US-7326705-B2 Heterocyclic sodium/proton exchange inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-05 US disclosed
EP-1224183-B1 HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL MYERS SQUIBB CO (US) 2005-12-28 EP disclosed
US-20050137216-A1 Heterocyclic sodium/proton exchange inhibitors and method AHMAD SALEEM (US) 2005-06-23 US disclosed
US-6887870-B1 Heterocyclic sodium/proton exchange inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-03 US disclosed
EP-1224183-A2 HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2002-07-24 EP disclosed
WO-2001027107-A2 HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-04-19 WO disclosed
EP-0158137-B1 PYRIMIDINES MERCK PATENT GmbH (DE) 1990-01-10 EP disclosed
EP-0158137-A2 Pyrimidines MERCK PATENT GmbH (DE) 1985-10-16 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 (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-20050137216-A1 Heterocyclic sodium/proton exchange inhibitors and method NHERF1, SLC9A3, SLC9A1 GABRA1 2714/4885GABRB2 3579/4885MEN1 3121/4885

“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.