SCHEMBL14250

SCHEMBL14250

NCCN1CCCC(NC(N)=O)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.43
PKM P14618 2/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
BCHE P06276 1/20 0.39
USP30 Q70CQ3 1/20 0.39
CACNA1H O95180 1/20 0.38
CYP2D6 P10635 1/20 0.38
KCNH2 Q12809 1/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
PARP1 P09874 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM3 P20309 1/20 0.38
NPC1 O15118 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL13781 1.00 LTA4H (0.43) LTA4HPKMPOLBTSHRBCHE
SCHEMBL14394 1.00 LTA4H (0.43) LTA4HPKMPOLBTSHRBCHE
SCHEMBL13743 0.91 BCHE (0.43) LTA4HPKMPOLBTSHRBCHE
SCHEMBL14853256 0.83 USP30 (0.44) PKMBCHEUSP30CACNA1HCYP2D6
SCHEMBL14853433 0.83 USP30 (0.44) PKMBCHEUSP30CACNA1HCYP2D6
SCHEMBL17354482 0.83 USP30 (0.44) PKMBCHEUSP30CACNA1HCYP2D6
SCHEMBL14059 0.81 LTA4H (0.48) LTA4HBCHECACNA1HCYP2D6KCNH2
SCHEMBL14853442 0.81 LTA4H (0.48) LTA4HBCHECACNA1HCYP2D6KCNH2
SCHEMBL14850299 0.80 CACNA1H (0.54) POLBUSP30CACNA1HCYP2D6KCNH2
SCHEMBL13766 0.80 LTA4H (0.46) LTA4HBCHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2013-04-11 US disclosed
WO-2011047323-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 WO 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 (1 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-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT LTA4H 291/4885PKM 3361/4885POLB 525/4885

“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.