SCHEMBL4669212

SCHEMBL4669212

CC(C)(C)OC(=O)Nc1ncccc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 8/20 0.51
▸ RAB9A P51151 4/20 0.50
▸ HTT P42858 4/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ LMNA P02545 3/20 0.48
▸ GAA P10253 1/20 0.48
▸ MEN1 O00255 6/20 0.47
▸ KMT2A Q03164 6/20 0.47
▸ PKM P14618 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ METAP1 P53582 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ ATR Q13535 1/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45

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
SCHEMBL30026311 0.88 NAMPT (0.46) RAB9AHTTNPC1ALDH1A1NPSR1
SCHEMBL8984337 0.88 NAMPT (0.46) RAB9AHTTNPC1ALDH1A1NPSR1
SCHEMBL4351188 0.87 ATR (0.56) RAB9AHTTALDH1A1GAAMEN1
SCHEMBL14979175 0.86 METAP1 (0.44) RAB9AHTTNPC1ALDH1A1GAA
SCHEMBL7837545 0.86 DHODH (0.49) DHODHRAB9AHTTNPC1ALDH1A1
SCHEMBL23566402 0.86 DHODH (0.44) DHODHRAB9AHTTNPC1ALDH1A1
SCHEMBL23566418 0.85 KDM4E (0.51) DHODHRAB9AHTTNPC1ALDH1A1
SCHEMBL29857768 0.85 METAP1 (0.46) DHODHRAB9AHTTNPC1ALDH1A1
SCHEMBL29142183 0.85 METAP1 (0.46) DHODHRAB9AHTTNPC1ALDH1A1
SCHEMBL14291452 0.83 ATR (0.44) RAB9AHTTNPC1ALDH1A1GAA

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 11 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
US-20170283436-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN EVOTEC (UK) LTD. (GB) 2017-10-05 — — US disclosed
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 — — US disclosed
US-20110312938-A1 Pyrrolopyridine Carboxylic Acid Derivatives IRONWOOD PHARMACEUTICALS, INC. (US) 2011-12-22 — — US disclosed
US-20110312938-A1 Pyrrolopyridine Carboxylic Acid Derivatives IRONWOOD PHARMACEUTICALS, INC. (US) 2011-12-22 — — US disclosed
US-20110312938-A1 Pyrrolopyridine Carboxylic Acid Derivatives IRONWOOD PHARMACEUTICALS, INC. (US) 2011-12-22 — — US disclosed
EP-1879882-A1 3 -M0N0- AND 3 , 5-DISUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS Novartis AG (CH) 2008-01-23 — — EP disclosed
US-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 — — US disclosed
WO-2006117183-A1 3 -M0N0- AND 3 , 5-DISUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2006-11-09 — — 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 (5 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 DHODH 749/4885RAB9A 1486/4885HTT 1744/4885
US-20170283436-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, FABP7 DHODH 3177/4885RAB9A 993/4885HTT 1/4885
US-20070185171-A1 Compounds and methods of use VHL, PGF, PTGIS DHODH 76/4885RAB9A 2012/4885HTT 1908/4885
US-10246422-B2 Heterocyclic compounds and use thereof in medicine and in cosmetics MC1R, BDKRB2, CCKBR DHODH 754/4885RAB9A 1715/4885HTT 1324/4885
US-20110312938-A1 Pyrrolopyridine Carboxylic Acid Derivatives SDHA, ALDH5A1, SDHB DHODH 332/4885RAB9A 748/4885HTT 564/4885

“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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