SCHEMBL3257654

SCHEMBL3257654

C=CCc1ccccc1C([NH])C=C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 3/20 0.41
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
AKR1B1 P15121 1/20 0.36
ALDH1A1 P00352 2/20 0.36
XDH P47989 1/20 0.35
ADRB2 P07550 3/20 0.34
ADRB1 P08588 3/20 0.34
LMNA P02545 2/20 0.34
HTR1A P08908 1/20 0.34
ADRB3 P13945 1/20 0.34
SLC6A2 P23975 1/20 0.34
BDKRB2 P30411 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
KCNH2 Q12809 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL601036 0.81 GABRA1 (0.45) ADRA2CADRA2AADRA2BGABRA1GABRB2
SCHEMBL11874663 0.78 ADRA2C (0.49) ADRA2CADRA2AADRA2BGABRA1GABRB2
SCHEMBL1501851 0.78 ADRA2C (0.49) ADRA2CADRA2AADRA2BGABRA1GABRB2
SCHEMBL19322490 0.77 ADRA2C (0.40) ADRA2CADRA2AADRA2BGABRA1GABRB2
SCHEMBL23501592 0.77 ADRA2C (0.43) ADRA2CADRA2AADRA2BGABRA1GABRB2
SCHEMBL6269535 0.76 GABRA1 (0.46) ADRA2CADRA2AADRA2BGABRA1GABRB2
SCHEMBL8118870 0.76 XDH (0.45) ADRA2CADRA2AADRA2BGABRA1GABRB2
SCHEMBL173300 0.75 GABRA1 (0.56) ADRA2CADRA2AADRA2BGABRA1GABRB2
SCHEMBL29763626 0.75 GABRA1 (0.56) ADRA2CADRA2AADRA2BGABRA1GABRB2
SCHEMBL9630707 0.74 ADRA2C (0.40) ADRA2CADRA2AADRA2BGABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0392317-B1 Benzimidazoles, drugs containing these compounds and process for their preparation THOMAE GMBH DR K (DE) 1996-01-03 EP claimed
EP-2157081-A1 Indolinones substituted in six locations, their manufacture and their application as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2010-02-24 EP disclosed
EP-1673092-B1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA IP NV (BE) 2007-08-15 EP disclosed
US-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions 4 AZA BIOSCIENCE NV (BE) 2007-02-08 US disclosed
EP-1673092-A1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA Bioscience nv (BE) 2006-06-28 EP disclosed
WO-2005039587-A1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA BIOSCIENCE NV (BE) 2005-05-06 WO disclosed
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 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 (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-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions TPMT, TYMS, TNF ADRA2C 2931/4885ADRA2A 2627/4885ADRA2B 2582/4885

“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.