SCHEMBL17870807

SCHEMBL17870807

COc1ccc([N+](=O)[O-])c(C(C)C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
MAPK1 P28482 4/20 0.43
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
AKR1B10 O60218 1/20 0.40
AKR1B1 P15121 1/20 0.40
AKR1C4 P17516 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
MAPT P10636 6/20 0.39
LMNA P02545 3/20 0.39
MERTK Q12866 1/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RAF1 P04049 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL17870810 0.87 ALDH1A1 (0.44) ALDH1A1MAPK1HTTSMN1; SMN2AKR1B10
SCHEMBL12919855 0.83 ALDH1A1 (0.49) ALDH1A1MAPK1HTTSMN1; SMN2AKR1B10
SCHEMBL9655005 0.81 AKR1C3 (0.44) ALDH1A1MAPK1SMN1; SMN2AKR1B10AKR1B1
SCHEMBL9655014 0.81 AKR1C3 (0.44) ALDH1A1MAPK1SMN1; SMN2AKR1B10AKR1B1
SCHEMBL29062251 0.80 S100A4 (0.41) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL16958210 0.80 ALDH1A1 (0.47) ALDH1A1MAPK1HTTSMN1; SMN2AKR1B10
SCHEMBL30556448 0.80 S100A4 (0.41) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL16285727 0.79 ALDH1A1 (0.47) ALDH1A1HTTSMN1; SMN2MAPTLMNA
SCHEMBL5980826 0.78 ALDH1A1 (0.48) ALDH1A1MAPK1HTTSMN1; SMN2AKR1B10
SCHEMBL2192115 0.78 ALDH1A1 (0.48) ALDH1A1MAPK1HTTSMN1; SMN2AKR1B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3708566-B1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2023-02-08 EP disclosed
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
EP-3708566-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2020-09-16 EP disclosed
EP-3237403-B1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2020-05-06 EP 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
EP-3237403-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2017-11-01 EP disclosed
WO-2016102882-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-06-30 WO 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 467/4885MAPK1 2395/4885HTT 1744/4885
US-10246422-B2 Heterocyclic compounds and use thereof in medicine and in cosmetics MC1R, BDKRB2, CCKBR ALDH1A1 554/4885MAPK1 2393/4885HTT 1324/4885

“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.