SCHEMBL4545266

SCHEMBL4545266

CNC(=O)NCCNC(=O)NC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
KMT2A Q03164 1/20 0.44
MTNR1A P48039 4/20 0.42
EPHX1 P07099 5/20 0.42
HSD17B10 Q99714 1/20 0.41
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PRMT1 Q99873 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
MTNR1B P49286 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
SCHEMBL19172568 0.97 KEAP1 (0.47) KEAP1NFE2L2KMT2AMTNR1AEPHX1
SCHEMBL13411696 0.91 KEAP1 (0.44) KEAP1NFE2L2KMT2AMTNR1AEPHX1
SCHEMBL4545267 0.91
SCHEMBL19171419 0.89 EPHX1 (0.58) KEAP1NFE2L2KMT2AEPHX1KDM4E
SCHEMBL4390993 0.89 KDM4E (0.52) KEAP1NFE2L2KMT2AMTNR1AEPHX1
SCHEMBL11382117 0.88 KEAP1 (0.55) KEAP1NFE2L2KMT2AMTNR1AEPHX1
SCHEMBL13466509 0.88 KEAP1 (0.61) KEAP1NFE2L2KMT2AEPHX1KDM4E
SCHEMBL9379381 0.87 KEAP1 (0.41) KEAP1NFE2L2KMT2AMTNR1AEPHX1
SCHEMBL19171562 0.87 KEAP1 (0.41) KEAP1NFE2L2KMT2AMTNR1AEPHX1
SCHEMBL19171946 0.85 EPHX1 (0.61) KEAP1NFE2L2KMT2AEPHX1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170210736-A1 PHENYL TETRAHYDROISOQUINOLINE COMPOUND SUBSTITUTED WITH HETEROARYL TAISHO PHARMACEUTICAL CO., LTD (JP) 2017-07-27 US disclosed
US-9156125-B2 Polishing pad with light-stable light-transmitting region CABOT MICROELECTRONICS CORPORATION (US) 2015-10-13 US disclosed
US-20130273813-A1 POLISHING PAD WITH LIGHT-STABLE LIGHT-TRANSMITTING REGION CABOT MICROELECTRONICS CORPORATION (US) 2013-10-17 US disclosed
US-20120108741-A1 AMBIENT-TEMPERATURE SELF-CURABLE AND FLUORINE CONTAINING AQUEOUS-BASED POLYURETHANE (PU) DISPERSION AND METHOD OF MANUFACTURING THE SAME AND ITS MODIFIED COATED FILM APPLICATIONS Chou, Tai-Chang (TW) 2012-05-03 US disclosed
US-4298747-A FINISHING AGENTS FOR TEXTILES CONTAINING CELLULOSE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1981-11-03 US 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-20170210736-A1 PHENYL TETRAHYDROISOQUINOLINE COMPOUND SUBSTITUTED WITH HETEROARYL NHERF1, SLC9A3, SLC26A3 KEAP1 1087/4885NFE2L2 1616/4885KMT2A 1917/4885

“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.