SCHEMBL1463416

SCHEMBL1463416

CNCC(=O)NCC(=O)NC

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.38
CA2 P00918 8/20 0.38
MCL1 Q07820 1/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 2/20 0.37
RECQL P46063 1/20 0.33
PRMT3 O60678 1/20 0.32
MALT1 Q9UDY8 1/20 0.31
HDAC4 P56524 1/20 0.30

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
SCHEMBL22064537 1.00 CA1 (0.38) CA1CA2MCL1LMNAALDH1A1
SCHEMBL583913 0.89
Hydrochloric Acid SCHEMBL10800425 0.86
SCHEMBL20257136 0.82 ALDH1A1 (0.43) MCL1LMNAALDH1A1RECQLPRMT3
SCHEMBL20887524 0.82 CA1 (0.37) CA1CA2ALDH1A1RECQL
SCHEMBL13660541 0.82 MCL1 (0.43) CA1CA2MCL1ALDH1A1RECQL
SCHEMBL21440819 0.82 CA1 (0.37) CA1CA2ALDH1A1RECQL
SCHEMBL21440849 0.82 CA1 (0.37) CA1CA2ALDH1A1RECQL
SCHEMBL21440852 0.82 CA1 (0.37) CA1CA2ALDH1A1RECQL
SCHEMBL19509410 0.82 KDM4E (0.39) CA2MCL1LMNAALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3508476-A1 AMINO MERCAPTAN COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF IN PROTECTION AGAINST RADIATION Inst Of Radiation Medicine Chinese Acad Of Medical Sciences (CN) 2019-07-10 EP disclosed
US-9073868-B2 Benzazepine derivatives useful as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-8785386-B2 Benzazepine derivatives useful as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-07-22 US disclosed
US-8669229-B2 Benzazepine derivatives useful as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-03-11 US disclosed
US-20140024640-A1 Benzazepine Derivatives Useful as Vasopressin Antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-23 US disclosed
US-20140024619-A1 Benzazepine Derivatives Useful as Vasopressin Antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-23 US disclosed
EP-2374798-B1 Benzazepine derivatives useful as vasopressin antagonists OTSUKA PHARMA CO LTD (JP) 2013-09-04 EP disclosed
EP-2374798-A1 Benzazepine derivatives useful as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-10-12 EP disclosed
EP-2374797-A1 Benzazepine derivatives useful as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-10-12 EP disclosed
US-20110071084-A1 BENZAZEPINE DERIVATIVES USEFUL AS VASOPRESSIN ANTAGONISTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-03-24 US disclosed
EP-2170831-A1 BENZAZEPINE DERIVATIVES USEFUL AS VASOPRESSIN ANTAGONISTS Otsuka Pharmaceutical Co., Ltd. (JP) 2010-04-07 EP disclosed
WO-2009001968-A1 BENZAZEPINE DERIVATIVES USEFUL AS VASOPRESSIN ANTAGONISTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-12-31 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 (3 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-20110071084-A1 BENZAZEPINE DERIVATIVES USEFUL AS VASOPRESSIN ANTAGONISTS AVPR2, AVPR1B, AVPR1A CA1 2209/4885CA2 322/4885MCL1 3904/4885
US-20140024619-A1 Benzazepine Derivatives Useful as Vasopressin Antagonists AVPR2, AVPR1B, AVPR1A CA1 2270/4885CA2 345/4885MCL1 3927/4885
US-20140024640-A1 Benzazepine Derivatives Useful as Vasopressin Antagonists AVPR2, AVPR1B, AVPR1A CA1 2270/4885CA2 345/4885MCL1 3927/4885

“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.