SCHEMBL379226

SCHEMBL379226

O=c1c[n+]([O-])c2ccccc2cn1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GPR3 P46089 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
PDPK1 O15530 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
SCHEMBL7792833 0.71 ATM (0.40) ATMKDM4EALDH1A1MEN1KMT2A
SCHEMBL51544 0.68 ATM (0.41) ATM
Hydrochloric Acid SCHEMBL10501335 0.67 ATM (0.40) ATM
SCHEMBL5259264 0.65 ATM (0.48) ATMKDM4EMEN1KMT2AGPR3
SCHEMBL8424490 0.65 ATM (0.48) ATMKDM4EMEN1KMT2AGPR3
SCHEMBL3535166 0.65 ATM (0.48) ATMKDM4EMEN1KMT2AGPR3
SCHEMBL4620642 0.65 ATM (0.48) ATMKDM4EMEN1KMT2AGPR3
SCHEMBL4559941 0.65 ATM (0.48) ATMKDM4EMEN1KMT2AGPR3
SCHEMBL6887470 0.65 CYP2A6 (0.43) KDM4EALDH1A1HSD17B10GPR3CYP1A2
SCHEMBL5250885 0.63 ATM (0.45) ATMKDM4EALDH1A1GPR3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242264-B2 Process for preparing 4-acetyl-2,3,4,5-tetrahydro-benzo[1,4]diazepine and the intermediates thereof TOPHARMAN SHANGHAI CO., LTD. (CN) 2012-08-14 US disclosed
EP-2163538-B1 PREPARATION METHODS OF 4-ACETYL-2,3,4,5-TETRAHYDRO- BENZO[1,4]DIAZEPINE AND THEIR INTERMEDIATES TOPHARMAN SHANGHAI CO LTD (CN) 2012-01-25 EP disclosed
US-20100256358-A1 Process for Preparing 4-Acetyl-2,3,4,5-tetrahydro-benzo[1,4]diazepine and the Intermediates Thereof TOPHARMAN SHANGHAI CO., LTD. (CN) 2010-10-07 US disclosed
EP-2163538-A1 PREPARATION METHODS OF 4-ACETYL-2,3,4,5-TETRAHYDRO- BENZO[1,4]DIAZEPINE AND THEIR INTERMEDIATES Topharman Shanghai Co., Ltd. (CN) 2010-03-17 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 (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-20100256358-A1 Process for Preparing 4-Acetyl-2,3,4,5-tetrahydro-benzo[1,4]diazepine and the Intermediates Thereof NQO1, KAT2A, HDAC2 ATM 1814/4885KDM4E 529/4885ALDH1A1 29/4885

“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.