Benzene

Benzene

SCHEMBL2929682

C#Cc1ccnnc1N1C[C@@H]2C[C@H]1CN2C.c1ccccc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 12/20 0.44
KCNH2 Q12809 9/20 0.43
PARP1 P09874 1/20 0.36
HRH4 Q9H3N8 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
Benzene SCHEMBL2930414 0.78 CHRNB2 (0.46)
SCHEMBL2944373 0.77 CHRNA7 (0.46) CHRNA7KCNH2HRH4
Benzene SCHEMBL1022490 0.74 HRH4 (0.33) CHRNA7HRH4
Benzene SCHEMBL1449616 0.72
Benzene SCHEMBL3243648 0.71 CHRNA7 (0.40) CHRNA7KCNH2
SCHEMBL2943783 0.70 CHRNA7 (0.47) CHRNA7KCNH2HRH4
Benzene SCHEMBL3550063 0.70 LMNA (0.30)
SCHEMBL26235665 0.66 CHRNA7 (0.58) CHRNA7KCNH2PARP1
SCHEMBL19381894 0.66 CHRNA7 (0.58) CHRNA7KCNH2PARP1
SCHEMBL2947712 0.66 CHRNA7 (0.44) CHRNA7KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1866314-B1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH AS (DK) 2010-09-15 EP claimed
US-7750011-B2 Diazabicyclic aryl derivatives and their medical use NEUROSEARCH A/S (DK) 2010-07-06 US claimed
US-20080161314-A1 Novel Diazabicyclic Aryl Derivatives and Their Medical Use NEUROSEARCH A/S (DK) 2008-07-03 US claimed
EP-1866314-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2007-12-19 EP claimed
WO-2006087305-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2006-08-24 WO claimed
EP-1866314-B1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH AS (DK) 2010-09-15 EP disclosed
US-7750011-B2 Diazabicyclic aryl derivatives and their medical use NEUROSEARCH A/S (DK) 2010-07-06 US disclosed
US-20080161314-A1 Novel Diazabicyclic Aryl Derivatives and Their Medical Use NEUROSEARCH A/S (DK) 2008-07-03 US disclosed
EP-1866314-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2007-12-19 EP disclosed
WO-2006087305-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2006-08-24 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-20080161314-A1 Novel Diazabicyclic Aryl Derivatives and Their Medical Use CHRNA6, CHRNA10, CHRNA2 CHRNA7 7/4885KCNH2 719/4885PARP1 2050/4885

“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.