SCHEMBL21140425

SCHEMBL21140425

CC(C)CCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)NCCNC(=O)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ CASP2 P42575 1/20 0.43
▸ NMT2 O60551 1/20 0.43
▸ NMT1 P30419 1/20 0.43
▸ FAAH O00519 3/20 0.42
▸ LMNA P02545 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ NAAA Q02083 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ DNM1 Q05193 1/20 0.41
▸ CNR1 P21554 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL21140427 0.98 NAMPT (0.47) NAMPTALDH1A1CASP2NMT2NMT1
SCHEMBL25543937 0.98 NAMPT (0.47) NAMPTALDH1A1CASP2NMT2NMT1
SCHEMBL21140249 0.98 NAMPT (0.47) NAMPTALDH1A1CASP2NMT2NMT1
SCHEMBL21140252 0.95 ALDH1A1 (0.48) NAMPTALDH1A1NMT2NMT1FAAH
SCHEMBL24818366 0.90 NAMPT (0.52) NAMPTALDH1A1CASP2FAAHLMNA
SCHEMBL10345306 0.90 NAMPT (0.52) NAMPTALDH1A1CASP2FAAHLMNA
SCHEMBL10660707 0.90 NAMPT (0.52) NAMPTALDH1A1CASP2FAAHLMNA
SCHEMBL10345059 0.90 NAMPT (0.52) NAMPTALDH1A1CASP2FAAHLMNA
SCHEMBL21303532 0.88 ALDH1A2 (0.48) ALDH1A1NMT2NMT1MMP8CYP2D6
SCHEMBL425951 0.88 ALDH1A1 (0.55) NAMPTALDH1A1CASP2NMT2NMT1

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 2961/4885ALDH1A1 1508/4885CASP2 361/4885

“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.

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