SCHEMBL21064892

SCHEMBL21064892

CCCCCCCCCCCCN/C(=N/C)NC

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.64
EPHX1 P07099 11/20 0.48
CASP2 P42575 1/20 0.44
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
NAAA Q02083 1/20 0.41
FAAH O00519 1/20 0.38
S1PR2 O95136 2/20 0.37
S1PR4 O95977 2/20 0.37
S1PR1 P21453 2/20 0.37
S1PR3 Q99500 2/20 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
SCHEMBL12344215 0.91 KDM1A (0.69) KDM1AEPHX1
SCHEMBL16573360 0.82
SCHEMBL14219765 0.82
SCHEMBL8257403 0.79 KDM1A (0.44) KDM1AEPHX1CASP2ZDHHC20ZDHHC2
SCHEMBL10045220 0.78 KDM1A (1.00) KDM1A
SCHEMBL3507348 0.78 KDM1A (1.00) KDM1A
SCHEMBL15787328 0.78 KDM1A (0.81) KDM1A
SCHEMBL11484382 0.77 EPHX1 (0.42) KDM1AEPHX1CASP2ZDHHC20ZDHHC2
SCHEMBL11484378 0.77 HRH4 (0.51) KDM1AEPHX1CASP2ZDHHC20ZDHHC2
SCHEMBL13631010 0.77 EPHX1 (0.42) KDM1AEPHX1CASP2ZDHHC20ZDHHC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308683-B2 Bicyclic lipolantipeptide, preparation and use as antimicrobial agent DEINOVE (FR) 2019-06-04 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 (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-10308683-B2 Bicyclic lipolantipeptide, preparation and use as antimicrobial agent LCT, LIPE, VIP KDM1A 4661/4885EPHX1 4417/4885CASP2 894/4885

“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.