SCHEMBL15344403

SCHEMBL15344403

CN(C)CCCNC(=O)Nc1ccc(CNC(=O)c2ccc(C(=O)NCc3ccc(NC(=O)NCCCN(C)C)cc3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 11/20 0.65
HPGD P15428 1/20 0.53
HDAC1 Q13547 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
LSS P48449 1/20 0.51
EPHX2 P34913 1/20 0.51
NR1H4 Q96RI1 1/20 0.51
NPC1 O15118 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.49
SIRT1 Q96EB6 1/20 0.49

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
SCHEMBL16383169 0.95 NAMPT (0.60) NAMPTHPGDNPC1
SCHEMBL15344283 0.92 NAMPT (0.57) NAMPTHPGDHDAC1HDAC6LSS
SCHEMBL16382441 0.92 NAMPT (0.57) NAMPTHPGDHDAC1HDAC6LSS
SCHEMBL15344370 0.88 NAMPT (0.56) NAMPTHPGDHDAC1HDAC6HRH3
SCHEMBL12961110 0.85 HTT (0.61) NAMPTHDAC1HDAC6HRH3
SCHEMBL12604884 0.84 HDAC1 (0.58) NAMPTHDAC1HDAC6EPHX2NR1H4
SCHEMBL15344287 0.82 NAMPT (0.56) NAMPTHDAC1HDAC6EPHX2NR1H4
SCHEMBL14553326 0.81 NPC1 (0.60) NAMPTHPGDHDAC1HDAC6NPC1
SCHEMBL15344336 0.81 NAMPT (0.55) NAMPTHDAC1HDAC6EPHX2NR1H4
SCHEMBL15344285 0.80 NAMPT (0.49) NAMPTHPGDHDAC1HDAC6SIRT2

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 3268/4885HPGD 3878/4885HDAC1 965/4885
US-20150037390-A1 SELF-ASSEMBLING BIS-UREA COMPOUNDS FOR DRUG DELIVERY SLC14A1, NONO, PUF60 NAMPT 4199/4885HPGD 4210/4885HDAC1 550/4885

“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.