SCHEMBL20656274

SCHEMBL20656274

CCOC(=O)c1nn(C(C)C)c(-c2cccnc2)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
DCTPP1 Q9H773 1/20 0.46
CDC7 O00311 2/20 0.43
DBF4 Q9UBU7 2/20 0.43
MMP2 P08253 1/20 0.43
MMP13 P45452 1/20 0.43
MMP14 P50281 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPSR1 Q6W5P4 2/20 0.42
TSHR P16473 2/20 0.42
POLB P06746 5/20 0.41
KDM4E B2RXH2 5/20 0.41
MAPT P10636 4/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
ALDH1A1 P00352 5/20 0.41
LMNA P02545 2/20 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
SCHEMBL16883790 0.84 NPC1 (0.53) NPC1RAB9ADCTPP1CDC7DBF4
SCHEMBL20656275 0.84 MKNK1 (0.42) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL29846005 0.78 ALDH1A1 (0.50) NPC1RAB9ADCTPP1CDC7DBF4
SCHEMBL25434166 0.78 ALDH1A1 (0.50) NPC1RAB9ADCTPP1CDC7DBF4
SCHEMBL20656655 0.77 ALDH1A1 (0.48) NPC1RAB9ADCTPP1CDC7DBF4
SCHEMBL16876827 0.76 ALDH1A1 (0.46) NPC1RAB9ADCTPP1CDC7DBF4
SCHEMBL2918896 0.76 ALDH1A1 (0.60) NPC1RAB9AMEN1KMT2ANPSR1
SCHEMBL12683122 0.74 CYP1A2 (0.39) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL15635699 0.73 ELANE (0.62) ELANE
SCHEMBL16876864 0.72 ALDH1A1 (0.46) NPC1RAB9ACDC7DBF4NPSR1

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-10428049-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2019-10-01 US disclosed
US-20190016701-A1 TRPA1 MODULATORS ALGOMEDIX, INC. (US) 2019-01-17 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-10428049-B2 TRPA1 modulators TRPA1, TRPV1, TRPV2 NPC1 709/4885RAB9A 3349/4885DCTPP1 1914/4885
US-20190016701-A1 TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 NPC1 709/4885RAB9A 3349/4885DCTPP1 1914/4885

“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.