SCHEMBL3250893

SCHEMBL3250893

CC(Nc1cccc2ccccc12)C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.59
GAA P10253 2/20 0.59
CA12 O43570 2/20 0.53
CA14 Q9ULX7 2/20 0.53
CA2 P00918 1/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
MMP14 P50281 1/20 0.53
MAPT P10636 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TNNI3 P19429 1/20 0.50
TNNT2 P45379 1/20 0.50
TNNC1 P63316 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 1/20 0.47

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
SCHEMBL8746847 1.00 KDM4E (0.59) KDM4EGAACA12CA14CA2
SCHEMBL5558308 0.90 KDM4E (0.51) KDM4EGAACA12CA14CA2
Hydrochloric Acid SCHEMBL8740058 0.88 MAPT (0.50) KDM4EGAACA12CA14CA2
Hydrochloric Acid SCHEMBL8740054 0.88 MAPT (0.50) KDM4EGAACA12CA14CA2
SCHEMBL15568024 0.85 KDM4E (0.53) KDM4EGAACA12CA14CA2
SCHEMBL29643419 0.85 KDM4E (0.53) KDM4EGAACA12CA14CA2
SCHEMBL7444251 0.85 KDM4E (0.53) KDM4EGAACA12CA14CA2
SCHEMBL42287 0.85 CA12 (0.54) KDM4EGAACA12CA14CA2
SCHEMBL298855 0.85 CA12 (0.54) KDM4EGAACA12CA14CA2
SCHEMBL29478385 0.85 CA12 (0.54) KDM4EGAACA12CA14CA2

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
CN-111410647-B Mu opium receptor bias agonist and medical application thereof 中国人民解放军军事科学院军事医学研究院 2021-08-17 CN disclosed
CN-111410647-A Mu opium receptor bias agonist and medical application thereof 中国人民解放军军事科学院军事医学研究院 2020-07-14 CN disclosed
EP-2206704-A1 Pharmaceutically active diazepanes Novartis AG (CH) 2010-07-14 EP disclosed
EP-1874739-B1 PHARMACEUTICALLY ACTIVE DIAZEPANES NOVARTIS AG (CH) 2010-05-26 EP disclosed
US-20080300237-A1 Pharmaceutically Active Diazepanes OBERHAUSER BERNDT 2008-12-04 US disclosed
US-7419976-B2 Diazepanes derivatives useful as IFA inhibitors NOVARTIS AG (CH) 2008-09-02 US disclosed
EP-1874739-A1 PHARMACEUTICALLY ACTIVE DIAZEPANES Novartis AG (CH) 2008-01-09 EP disclosed
WO-2006111371-A1 PHARMACEUTICALLY ACTIVE DIAZEPANES NOVARTIS AG (CH) 2006-10-26 WO disclosed
US-20060148780-A1 Diazepanes derivatives useful as ifa inhibitors OBERHAUSER BERNDT 2006-07-06 US disclosed
EP-1590342-A1 DIAZEPANES DERIVATIVES USEFUL AS LFA INHIBITORS Novartis AG (CH) 2005-11-02 EP disclosed
WO-2004065382-A1 DIAZEPANES DERIVATIVES USEFUL AS LFA INHIBITORS NOVARTIS AG (CH) 2004-08-05 WO disclosed
WO-2003027315-A2 AMIDASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM DIVERSA CORPORATION (US) 2003-04-03 WO disclosed
US-5985632-A Peptide amidase from xanthomonas DEGUSSA AKTIENGESELLSCHAFT (DE) 1999-11-16 US disclosed
EP-0759066-A1 PROCESS FOR OBTAINING MICRO-ORGANISMS CONTAINING PEPTIDE AMIDASE, MICRO-ORGANISMS OBTAINED THEREWITH, PEPTIDE AMIDASES CONTAINED IN THEM AND USE THEREOF Degussa Aktiengesellschaft (DE) 1997-02-26 EP disclosed
WO-1995030740-A1 PROCESS FOR OBTAINING MICRO-ORGANISMS CONTAINING PEPTIDE AMIDASE, MICRO-ORGANISMS OBTAINED THEREWITH, PEPTIDE AMIDASES CONTAINED IN THEM AND USE THEREOF DEGUSSA AKTIENGESELLSCHAFT (DE) 1995-11-16 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 (2 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-20080300237-A1 Pharmaceutically Active Diazepanes VCAM1, ICAM1, CD69 KDM4E 2996/4885GAA 2633/4885CA12 3493/4885
US-20060148780-A1 Diazepanes derivatives useful as ifa inhibitors ICAM1, VCAM1, FLI1 KDM4E 2753/4885GAA 2315/4885CA12 3194/4885

“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.