SCHEMBL19873681

SCHEMBL19873681

CSc1ccc([N+](=O)[O-])c(CCNC2CCN(CC(C)(C)C(=O)O)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.39
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
HTR4 Q13639 1/20 0.37
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 2/20 0.35
NPC1 O15118 1/20 0.35
NR2F2 P24468 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DRD2 P14416 3/20 0.34
DRD4 P21917 1/20 0.34
HTR2C P28335 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL19873705 0.85 HTR4 (0.39) SIGMAR1MEN1KMT2AHTR4HTR2A
SCHEMBL17870726 0.85 ALDH1A1 (0.40) SIGMAR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL17870727 0.85 ALDH1A1 (0.40) SIGMAR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL30178376 0.82 GPR119 (0.46) ALDH1A1MAPTKDM4EMAPK1NPC1
SCHEMBL19873853 0.72 ALDH1A1 (0.51) SIGMAR1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL19873971 0.70 SIGMAR1 (0.41) SIGMAR1MEN1KMT2AHTR4HTR2A
SCHEMBL19873697 0.70 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL17870715 0.69 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL17870716 0.69 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL17870765 0.68 DRD4 (0.40) SIGMAR1ALDH1A1KDM4EMAPK1SMN1; SMN2

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 SIGMAR1 327/4885ALDH1A1 467/4885MEN1 1522/4885
US-10246422-B2 Heterocyclic compounds and use thereof in medicine and in cosmetics MC1R, BDKRB2, CCKBR SIGMAR1 352/4885ALDH1A1 554/4885MEN1 1360/4885

“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.