SCHEMBL15344336

SCHEMBL15344336

NCCCCCCNC(=O)Nc1ccc(CNC(=O)c2ccc(C(=O)NCc3ccc(NC(=O)NCCCCCCN)cc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 12/20 0.55
HDAC1 Q13547 3/20 0.53
HDAC6 Q9UBN7 2/20 0.53
GHSR Q92847 2/20 0.49
HDAC2 Q92769 1/20 0.49
EPHX2 P34913 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
NPC1 O15118 1/20 0.48

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
SCHEMBL15344287 0.99 NAMPT (0.56) NAMPTHDAC1HDAC6GHSREPHX2
SCHEMBL16383045 0.94 NPC1 (0.59) NAMPTHDAC1HDAC6GHSRNPC1
SCHEMBL16383167 0.93 NPC1 (0.60) NAMPTHDAC1HDAC6NPC1
SCHEMBL15344288 0.89 HDAC1 (0.58) NAMPTHDAC1HDAC6HDAC2EPHX2
SCHEMBL12604884 0.88 HDAC1 (0.58) NAMPTHDAC1HDAC6EPHX2NR1H4
SCHEMBL16378811 0.85 GHSR (0.53) HDAC1GHSRHDAC2NPC1
SCHEMBL16383168 0.84 NPC1 (0.54) GHSRNPC1
SCHEMBL16383044 0.83 NPC1 (0.65) NAMPTHDAC1HDAC6EPHX2NR1H4
SCHEMBL14553326 0.83 NPC1 (0.60) NAMPTHDAC1HDAC6NPC1
SCHEMBL12911062 0.82 EPHX2 (0.50) NAMPTEPHX2NPC1

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 NAMPT 3268/4885HDAC1 965/4885HDAC6 685/4885
US-20150037390-A1 SELF-ASSEMBLING BIS-UREA COMPOUNDS FOR DRUG DELIVERY SLC14A1, NONO, PUF60 NAMPT 4199/4885HDAC1 550/4885HDAC6 503/4885

“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.