SCHEMBL15344370

SCHEMBL15344370

CN(C)CCCNC(=O)Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(NC(=O)NCCCN(C)C)cc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.56
HPGD P15428 1/20 0.56
POLB P06746 1/20 0.53
HTT P42858 1/20 0.53
MCHR1 Q99705 2/20 0.53
SIRT1 Q96EB6 3/20 0.51
SIRT2 Q8IXJ6 2/20 0.51
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
HRH3 Q9Y5N1 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
SCHEMBL15344285 0.91 NAMPT (0.49) NAMPTHPGDPOLBHTTMCHR1
SCHEMBL12961110 0.91 HTT (0.61) NAMPTPOLBHTTMCHR1HDAC1
SCHEMBL15344403 0.88 NAMPT (0.65) NAMPTHPGDSIRT1SIRT2HDAC1
SCHEMBL16383171 0.85 HTT (0.56) NAMPTPOLBHTTMCHR1HDAC1
SCHEMBL14608288 0.85 HTT (0.56) NAMPTPOLBHTTMCHR1HDAC1
SCHEMBL16129581 0.84 SIRT1 (0.59) POLBHTTSIRT1SIRT2
SCHEMBL16383169 0.84 NAMPT (0.60) NAMPTHPGDHTT
SCHEMBL14574172 0.84 HTT (0.55) NAMPTHPGDPOLBHTTMCHR1
SCHEMBL7513232 0.84 FPR2 (0.57) POLBHTTSIRT1SIRT2HDAC1
SCHEMBL7505669 0.84 CNR1 (0.63) POLBHTTHRH3

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 3878/4885POLB 1098/4885
US-20150037390-A1 SELF-ASSEMBLING BIS-UREA COMPOUNDS FOR DRUG DELIVERY SLC14A1, NONO, PUF60 NAMPT 4199/4885HPGD 4210/4885POLB 4553/4885

“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.