SCHEMBL404814

SCHEMBL404814

CCc1ccc(-c2ccc(C(=O)NCCNOC(=O)NC3CCCC(N)C3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
TAOK1 Q7L7X3 2/20 0.38
SMYD3 Q9H7B4 2/20 0.38
OPRK1 P41145 1/20 0.37
MAPK14 Q16539 1/20 0.37
TAOK3 Q9H2K8 1/20 0.36
CHRM1 P11229 2/20 0.36
CXCR4 P61073 2/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
CYP2D6 P10635 1/20 0.36
HTR2A P28223 1/20 0.36
MCHR1 Q99705 1/20 0.36
F2 P00734 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL1096805 0.87 MEN1 (0.46) MEN1POLBKMT2ATAOK1SMYD3
SCHEMBL404815 0.81 CA12 (0.41) MEN1POLBKMT2ATAOK1SMYD3
SCHEMBL402118 0.74 RAB9A (0.50) MEN1KMT2ATAOK1TAOK3ALDH1A1
SCHEMBL4237233 0.74 HDAC3 (0.45) POLBDRD2DRD4DRD3MCHR1
SCHEMBL1095544 0.74 TAOK1 (0.45) MEN1POLBKMT2ATAOK1TAOK3
SCHEMBL401126 0.71 LMNA (0.54) POLBMAPK14MCHR1ALDH1A1LMNA
SCHEMBL17845249 0.71 NPC1 (0.61) MEN1POLBKMT2ASMYD3
SCHEMBL30284457 0.71 MAOB (0.40) MEN1KMT2ASMYD3OPRK1CXCR4
SCHEMBL24632329 0.68 GRM5 (0.63) MEN1KMT2AALDH1A1
SCHEMBL13754022 0.68 NPC1 (0.66) MEN1POLBKMT2A

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-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 US disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 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-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS MEN1 2414/4885POLB 640/4885KMT2A 4800/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS MEN1 2414/4885POLB 640/4885KMT2A 4800/4885

“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.