SCHEMBL15344352

SCHEMBL15344352

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.53
NR1H4 Q96RI1 2/20 0.53
NAMPT P43490 9/20 0.53
HDAC1 Q13547 5/20 0.50
HDAC6 Q9UBN7 3/20 0.50
KDM4E B2RXH2 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
PAX8 Q06710 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
NPC1 O15118 1/20 0.46

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
SCHEMBL15344406 0.99 EPHX2 (0.52) EPHX2NR1H4NAMPTHDAC1HDAC6
SCHEMBL15344405 0.95 EPHX2 (0.55) EPHX2NR1H4NAMPTHDAC1HDAC6
SCHEMBL15344407 0.90 NAMPT (0.60) EPHX2NR1H4NAMPTHDAC1HDAC6
SCHEMBL21661941 0.85 HDAC6 (0.63) EPHX2NR1H4NAMPTHDAC1HDAC6
SCHEMBL8237351 0.84 NAMPT (0.57) EPHX2NR1H4NAMPTHDAC1HDAC6
SCHEMBL23899245 0.82 NAMPT (0.72) EPHX2NR1H4NAMPTHDAC1HDAC6
SCHEMBL3523655 0.81 TDP1 (0.60) GAATDP1CA1CA2NPC1
SCHEMBL13970761 0.81 TDP1 (0.58) EPHX2NR1H4NAMPTHDAC1HDAC6
SCHEMBL15344287 0.80 NAMPT (0.56) EPHX2NR1H4NAMPTHDAC1HDAC6
SCHEMBL12604884 0.80 HDAC1 (0.58) EPHX2NR1H4NAMPTHDAC1HDAC6

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.