SCHEMBL379471

SCHEMBL379471

O=[N+]([O-])c1ccccc1/C=N/CCCl

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.74
RAB9A P51151 5/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
NPC1 O15118 3/20 0.51
L3MBTL1 Q9Y468 4/20 0.48
GAA P10253 2/20 0.48
ALDH1A1 P00352 5/20 0.48
MAPT P10636 5/20 0.47
LMNA P02545 3/20 0.47
KDM4E B2RXH2 2/20 0.47
THRB P10828 1/20 0.47
PTBP1 P26599 1/20 0.47
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL379472 1.00 CA12 (0.74) CA12RAB9AMEN1KMT2ANPC1
SCHEMBL4896484 0.90 CA12 (0.84) CA12RAB9AMEN1KMT2ANPC1
SCHEMBL4896487 0.90 CA12 (0.84) CA12RAB9AMEN1KMT2ANPC1
SCHEMBL14163515 0.90 CA12 (0.84) CA12RAB9AMEN1KMT2ANPC1
SCHEMBL11966962 0.84 CA12 (0.74) CA12RAB9AMEN1KMT2ANPC1
SCHEMBL22013355 0.81 CA12 (0.80) CA12RAB9AMEN1KMT2ANPC1
SCHEMBL9112821 0.78 CA12 (0.65) CA12RAB9AMEN1KMT2ANPC1
SCHEMBL9112827 0.78 CA12 (0.65) CA12RAB9AMEN1KMT2ANPC1
SCHEMBL29035946 0.78 CA12 (0.60) CA12RAB9AMEN1KMT2ANPC1
SCHEMBL700769 0.74 CA12 (0.60) CA12RAB9AMEN1KMT2ANPC1

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
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
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
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
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
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
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
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 CA12 865/4885RAB9A 2147/4885MEN1 1446/4885

“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.