SCHEMBL4123098

SCHEMBL4123098

OC(Cc1ccccc1)c1ccccc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.46
SIGMAR1 Q99720 3/20 0.44
SLC18A3 Q16572 1/20 0.44
CYP1A2 P05177 1/20 0.42
EPHX1 P07099 1/20 0.41
TRPA1 O75762 2/20 0.41
TAAR1 Q96RJ0 4/20 0.41
SLC18A2 Q05940 1/20 0.41
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
SLC7A5 Q01650 1/20 0.39
ALPL P05186 1/20 0.39
POLB P06746 1/20 0.39
ALPG P10696 1/20 0.39
TDO2 P48775 1/20 0.39
SLC6A2 P23975 2/20 0.39
MAOA P21397 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL9915916 0.81 NLRP3 (0.42) SIGMAR1SLC18A3TRPA1MAOASLC6A3
SCHEMBL7456485 0.79 EPHX1 (0.41) IDO1SIGMAR1CYP1A2EPHX1TRPA1
SCHEMBL7148676 0.78 SLC18A3 (0.43) IDO1SIGMAR1SLC18A3TAAR1TDO2
SCHEMBL1134282 0.78 SLC18A3 (0.43) IDO1SIGMAR1SLC18A3TDO2
SCHEMBL30154042 0.78 SLC18A3 (0.43) IDO1SIGMAR1SLC18A3TAAR1TDO2
SCHEMBL4975851 0.78 SLC18A3 (0.43) IDO1SIGMAR1SLC18A3TDO2
SCHEMBL19519600 0.78 SLC18A3 (0.43) IDO1SIGMAR1SLC18A3TAAR1TDO2
SCHEMBL13035459 0.78 SLC18A3 (0.43) IDO1SIGMAR1SLC18A3TDO2
SCHEMBL31376555 0.78 SLC18A3 (0.43) IDO1SIGMAR1SLC18A3TDO2
SCHEMBL29811265 0.78 SLC18A3 (0.43) IDO1SIGMAR1SLC18A3TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
EP-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 EP disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US disclosed
WO-2005012288-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC (US) 2005-02-10 WO disclosed
US-6566547-B1 3-alkoxy-2-phenylacrylic acid derivatives ZENECA LIMITED (GB) 2003-05-20 US disclosed
EP-0178826-B2 Fungicides SYNGENTA LTD (GB) 2003-04-09 EP disclosed
US-5315025-A Acrylate ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-05-24 US disclosed
US-5286894-A Phenyl acrylic acid derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-02-15 US disclosed
EP-0178826-B1 FUNGICIDES ZENECA LIMITED (GB) 1991-12-18 EP disclosed
EP-0431328-A2 Fungicides ZENECA LIMITED (GB) 1991-06-12 EP disclosed
EP-0178826-A2 Fungicides ZENECA LIMITED (GB) 1986-04-23 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 (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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 IDO1 1655/4885SIGMAR1 2420/4885SLC18A3 3481/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 IDO1 1655/4885SIGMAR1 2420/4885SLC18A3 3481/4885

“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.