SCHEMBL5139872

SCHEMBL5139872

C=CCc1n[nH]cc1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PARP1 P09874 1/20 0.33
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
MMP9 P14780 1/20 0.32
AXL P30530 2/20 0.32
CDK8 P49336 1/20 0.32
TNIK Q9UKE5 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX15 P16050 1/20 0.31
CDC7 O00311 1/20 0.31

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
SCHEMBL5951254 0.78 TDO2 (0.39) HPGDALDH1A1HTTHSD17B10PARP1
SCHEMBL29504118 0.77 AXL (0.39) L3MBTL1ADRB2ALDH1A1PARP1AKT1
SCHEMBL5139615 0.73 GABRA1 (0.42) HPGDL3MBTL1HTTKDM4EALOX15
SCHEMBL10612540 0.72 LMNA (0.45) L3MBTL1ALDH1A1HTTKDM4EPARP1
SCHEMBL7559397 0.72 ALOX15 (0.39) HPGDL3MBTL1ALDH1A1HTTKDM4E
SCHEMBL2575944 0.72 AGTR1 (0.35) HPGDL3MBTL1ADRB2ADRB1ALDH1A1
SCHEMBL28025320 0.71 ADRB2 (0.39) HPGDL3MBTL1ADRB2ALDH1A1HTT
SCHEMBL11212892 0.70 ADRB2 (0.39) L3MBTL1ADRB2ADRB1ALDH1A1HTT
SCHEMBL8233753 0.70 ALDH1A1 (0.38) HPGDL3MBTL1ADRB2ADRB1ALDH1A1
SCHEMBL28992468 0.70 DHFR (0.44) AXLCDC7PLK4CHEK1CHUK

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 14 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
CN-1468232-A Heterocyclic sodium/proton exchange inhibitors and method ����˹�ж�-����˹˹������˾ 2004-01-14 CN 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
EP-0192492-B1 PEPTIDES CONTAINING AN ALIPHATIC-AROMATIC KETONE SIDE CHAIN THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1992-01-02 EP 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
CN-1468232-A Heterocyclic sodium/proton exchange inhibitors and method ����˹�ж�-����˹˹������˾ 2004-01-14 CN 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

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 HPGD 213/4885L3MBTL1 1613/4885ADRB2 476/4885

“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.