SCHEMBL15344405

SCHEMBL15344405

CC(C)(C)OC(=O)NCCNC(=O)Nc1ccc(CNC(=O)c2ccc(C(=O)NCc3ccc(NC(=O)NCCNC(=O)OC(C)(C)C)cc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.55
NR1H4 Q96RI1 2/20 0.55
NAMPT P43490 11/20 0.55
HDAC1 Q13547 5/20 0.52
HDAC6 Q9UBN7 3/20 0.52
NPC1 O15118 1/20 0.48
TRPV1 Q8NER1 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
SCHEMBL15344352 0.95 EPHX2 (0.53) EPHX2NR1H4NAMPTHDAC1HDAC6
SCHEMBL15344406 0.94 EPHX2 (0.52) EPHX2NR1H4NAMPTHDAC1HDAC6
SCHEMBL15344407 0.93 NAMPT (0.60) EPHX2NR1H4NAMPTHDAC1HDAC6
SCHEMBL21661941 0.87 HDAC6 (0.63) EPHX2NR1H4NAMPTHDAC1HDAC6
SCHEMBL23899245 0.84 NAMPT (0.72) EPHX2NR1H4NAMPTHDAC1HDAC6
SCHEMBL31396783 0.81 HDAC1 (0.58) EPHX2NR1H4NAMPTHDAC1HDAC6
SCHEMBL24891652 0.80 NAMPT (0.66) EPHX2NR1H4NAMPTHDAC1HDAC6
SCHEMBL23899122 0.80 NAMPT (0.66) EPHX2NR1H4NAMPTHDAC1HDAC6
SCHEMBL4922883 0.80 NAMPT (0.63) NAMPTHDAC1NPC1
SCHEMBL8258345 0.79 NAMPT (0.59) NAMPTHDAC1HDAC6NPC1TRPV1

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-9084735-B2 Self-assembling bis-urea compounds for drug delivery INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-07-21 US disclosed
US-20150037390-A1 SELF-ASSEMBLING BIS-UREA COMPOUNDS FOR DRUG DELIVERY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-02-05 US disclosed
US-8921426-B2 Cationic bis-urea compounds as effective antimicrobial agents INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2014-12-30 US disclosed
US-20130281515-A1 CATIONIC BIS-UREA COMPOUNDS AS EFFECTIVE ANTIMICROBIAL AGENTS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2013-10-24 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 (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-20130281515-A1 CATIONIC BIS-UREA COMPOUNDS AS EFFECTIVE ANTIMICROBIAL AGENTS NOS3, NOS1, NOS2 EPHX2 4201/4885NR1H4 2240/4885NAMPT 3268/4885
US-20150037390-A1 SELF-ASSEMBLING BIS-UREA COMPOUNDS FOR DRUG DELIVERY SLC14A1, NONO, PUF60 EPHX2 2799/4885NR1H4 480/4885NAMPT 4199/4885

“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.