Benzene

Benzene

SCHEMBL4859438

CS(=O)(=O)N[C@@H](c1ccccc1)[C@@H](N)c1ccccc1.[Ru].c1ccccc1

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.45
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
KEAP1 Q14145 1/20 0.38
GBA1 P04062 1/20 0.37
CNR2 P34972 2/20 0.36
F2 P00734 1/20 0.35
AOC3 Q16853 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GMNN O75496 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 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
Benzene SCHEMBL4865907 1.00 DPP4 (0.45) DPP4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2844004 0.98 DPP4 (0.46) DPP4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL10193903 0.98 DPP4 (0.46) DPP4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3856755 0.98 DPP4 (0.46) DPP4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL990226 0.98 DPP4 (0.46) DPP4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL809956 0.98 DPP4 (0.46) DPP4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2840860 0.98 DPP4 (0.46) DPP4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL7091245 0.96 DPP4 (0.45) DPP4CYP1A2CYP3A4CYP2D6CYP2C19
Hexamethylbenzene SCHEMBL4856383 0.95 DPP4 (0.41) DPP4CYP1A2CYP3A4CYP2D6CYP2C19
Hexamethylbenzene SCHEMBL4855371 0.95 DPP4 (0.41) DPP4CYP1A2CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332622-B2 Process for preparing optically active nitro compounds and cyano compounds KANTO KAGUKU KABUSHIKI KAISHA (JP) 2008-02-19 US disclosed
US-7268250-B2 Process for producing optically active compound KANTO KAGAKU KABUSHIKI KAISHA (JP) 2007-09-11 US disclosed
EP-1439159-B1 Process for producing optically active compound KANTO KAGAKU (JP) 2007-06-20 EP disclosed
EP-1308435-B1 Process for producing optically active amino alcohols KANTO KAGAKU (JP) 2005-12-28 EP disclosed
US-20050101787-A1 Process for preparing optically active nitro compounds and cyano compounds KANTO KAGAKU KABUSHIKI KAISHA (JP) 2005-05-12 US disclosed
EP-1512678-A1 Process for preparing optically active nitro compounds and cyano compounds Kanto Kagaku Kabushiki Kaisha (JP) 2005-03-09 EP disclosed
US-20040176616-A1 Process for producing optically active compound KANTO KAGAKU KABUSHIKI KAISHA 2004-09-09 US disclosed
EP-1439159-A1 Process for producing optically active compound Kanto Kagaku Kabushiki Kaisha (JP) 2004-07-21 EP disclosed
US-6696573-B1 SYNTHESIS OF SUCH AS 2-(N-(2-(9H-CARBAZOL-2-YLOXY)ETHYL))-AMINO-1-((3 -METHYLSULFONYLAMINO)PHENYL)ETHANOL WITH ENHANCED OPTICAL PURITY ASAHI KASEI KABUSHIKI KAISHA (JP) 2004-02-24 US disclosed
US-6686505-B2 HYDROGENATION OF NITRO KETONE OR CYANO KETONE IN PRESENCE OF TRANSITION METAL COMPOUND CATALYST; AMINATION KANTO KAGUKU KABUSHIKI KAISHA (JP) 2004-02-03 US disclosed
US-20030225289-A1 Process for the preparation of tricyclic amino alcohol derivatives ASAHI KASEI KABUSHIKI KAISHA (JP) 2003-12-04 US disclosed
US-20030171592-A1 Process for producing optically active amino alcohols and intermediates therefore KANTO KAGAKU KABUSHIKI KAISHA (JP) 2003-09-11 US disclosed
EP-1308435-A2 Process for producing optically active amino alcohols Kanto Kagaku Kabushiki Kaisha (JP) 2003-05-07 EP disclosed
EP-1209150-A1 PROCESSES FOR THE PREPARATION OF TRICYCLIC AMINO ALCOHOL DERIVATIVES Asahi Kasei Kabushiki Kaisha (JP) 2002-05-29 EP disclosed
EP-1195371-A1 PROCESS FOR THE PREPARATION OF TRICYCLIC AMINO ALCOHOL DERIVATIVES Asahi Kasei Kabushiki Kaisha (JP) 2002-04-10 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 (4 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-20030171592-A1 Process for producing optically active amino alcohols and intermediates therefore ADH1A, NOS1, ADH5 DPP4 4573/4885CYP1A2 178/4885CYP3A4 195/4885
US-20030225289-A1 Process for the preparation of tricyclic amino alcohol derivatives ADH1A, ADH1C, OXER1 DPP4 686/4885CYP1A2 149/4885CYP3A4 457/4885
US-20040176616-A1 Process for producing optically active compound OSTC, NPEPPS, PPOX DPP4 1485/4885CYP1A2 974/4885CYP3A4 77/4885
US-20050101787-A1 Process for preparing optically active nitro compounds and cyano compounds NOS1, NOS2, NOX1 DPP4 4252/4885CYP1A2 228/4885CYP3A4 194/4885

“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.