SCHEMBL21140249

SCHEMBL21140249

CC(C)CCCCC(=O)NCCCCCCNC(=O)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.47
CASP2 P42575 1/20 0.44
NMT2 O60551 1/20 0.44
NMT1 P30419 1/20 0.44
FAAH O00519 3/20 0.44
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
NAAA Q02083 1/20 0.42
ALDH1A1 P00352 1/20 0.42
DNM1 Q05193 1/20 0.41
CNR1 P21554 2/20 0.41
HPGD P15428 1/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL25543937 1.00 NAMPT (0.47) NAMPTCASP2NMT2NMT1FAAH
SCHEMBL21140427 1.00 NAMPT (0.47) NAMPTCASP2NMT2NMT1FAAH
SCHEMBL21140425 0.98 NAMPT (0.46) NAMPTCASP2NMT2NMT1FAAH
SCHEMBL21140252 0.93 ALDH1A1 (0.48) NAMPTNMT2NMT1FAAHLMNA
SCHEMBL24818366 0.91 NAMPT (0.52) NAMPTCASP2FAAHLMNAPKM
SCHEMBL10660707 0.91 NAMPT (0.52) NAMPTCASP2FAAHLMNAPKM
SCHEMBL10345306 0.91 NAMPT (0.52) NAMPTCASP2FAAHLMNAPKM
SCHEMBL10345059 0.91 NAMPT (0.52) NAMPTCASP2FAAHLMNAPKM
SCHEMBL21303532 0.89 ALDH1A2 (0.48) NMT2NMT1ALDH1A1CYP2D6CYP2C9
SCHEMBL23442882 0.89 ALDH1A2 (0.48) NMT2NMT1ALDH1A1CYP2D6CYP2C9

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-20190192697-A1 CHEMICAL PROBES OF LYSYL OXIDASK-LIKE 2 AND USES THEREOF PHARMAKEA, INC. 2019-06-27 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-20190192697-A1 CHEMICAL PROBES OF LYSYL OXIDASK-LIKE 2 AND USES THEREOF LOXL2, LOXL1, LOXL3 NAMPT 2961/4885CASP2 361/4885NMT2 417/4885

“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.