SCHEMBL19873697

SCHEMBL19873697

COc1ccc([N+](=O)[O-])c(C(C)CNC2CCN(CC(C)(C)C(=O)O)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
RECQL P46063 1/20 0.44
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 3/20 0.39
MAPK1 P28482 2/20 0.39
TRPV1 Q8NER1 1/20 0.38
ALDH3A1 P30838 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTR2C P28335 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL19873976 0.85 ACHE (0.39) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL17870838 0.85 ALDH1A1 (0.44) ALDH1A1RECQLKMT2ALMNAMAPT
SCHEMBL17870837 0.85 ALDH1A1 (0.44) ALDH1A1RECQLKMT2ALMNAMAPT
SCHEMBL30178359 0.83 ALDH1A1 (0.51) ALDH1A1RECQLMAPTMAPK1TRPV1
SCHEMBL30178389 0.71 TRPV1 (0.34) ALDH1A1RECQLKMT2AMEN1TRPV1
SCHEMBL20490700 0.71 CCR5 (0.45) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL19873971 0.70 SIGMAR1 (0.41) KMT2AMEN1HTR2C
SCHEMBL19873681 0.70 SIGMAR1 (0.39) ALDH1A1KMT2AMEN1MAPTMAPK1
SCHEMBL17870704 0.70 MAPT (0.39) ALDH1A1LMNAMAPTHPGD
SCHEMBL19873853 0.69 ALDH1A1 (0.51) ALDH1A1RECQLKMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107428744-B Novel heterocyclic compounds and their use in medicine and cosmetics 盖尔德马研究及发展公司 2021-09-24 CN disclosed
US-10246422-B2 Heterocyclic compounds and use thereof in medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2019-04-02 US disclosed
US-20180050992-A1 NOVEL HETEROCYCLIC COMPOUNDS AND USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2018-02-22 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-20180050992-A1 NOVEL HETEROCYCLIC COMPOUNDS AND USE THEREOF IN MEDICINE AND IN COSMETICS MC1R, CALCRL, BDKRB2 ALDH1A1 467/4885RECQL 1077/4885KMT2A 4360/4885
US-10246422-B2 Heterocyclic compounds and use thereof in medicine and in cosmetics MC1R, BDKRB2, CCKBR ALDH1A1 554/4885RECQL 1115/4885KMT2A 4138/4885

“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.