SCHEMBL1733897

SCHEMBL1733897

CNCc1ccc(CO)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.46
SOS1 Q07889 1/20 0.43
CYP2A6 P11509 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
ALDH1A1 P00352 7/20 0.42
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 4/20 0.35
PRMT6 Q96LA8 1/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
CHRM2 P08172 1/20 0.33
CYP3A4 P08684 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
SCHEMBL18163838 0.88 CD274 (0.53) CD274SOS1CYP2A6CYP2C9CYP2C19
SCHEMBL183551 0.80
SCHEMBL901053 0.78 ALDH1A1 (0.50) CYP2A6CYP2C9CYP2C19ALDH1A1TDP1
SCHEMBL4153694 0.77 CD274 (0.46) CD274SOS1CYP2A6CYP2C9CYP2C19
SCHEMBL29111193 0.77 ALDH1A1 (0.54) CYP2A6CYP2C9CYP2C19ALDH1A1TDP1
SCHEMBL30688993 0.77 ALDH1A1 (0.54) CYP2A6CYP2C9CYP2C19ALDH1A1TDP1
SCHEMBL11368412 0.77 HRH1 (0.54) CYP2A6CYP2C9CYP2C19CYP2D6ALDH1A1
SCHEMBL20773975 0.77 ALDH1A1 (0.38) CYP2A6CYP2C9CYP2C19CYP2D6ALDH1A1
Methoxymethane SCHEMBL28429768 0.75 ALDH1A1 (0.48) CYP2A6CYP2C9CYP2C19ALDH1A1TDP1
SCHEMBL11359616 0.75 CHRM2 (0.44) CD274CYP2C9CYP2C19ALDH1A1TDP1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651910-B1 PREPARATION OF AMINOMETHYL FURANS AND ALKOXYMETHYL FURAN DERIVATIVES FROM CARBOHYDRATES ARCHER-DANIELS-MIDLAND COMPANY (US) 2016-12-07 EP claimed
CN-103443090-B Preparation of aminomethyl furan and alkoxymethyl furan derivatives from carbohydrates 阿彻丹尼尔斯米德兰德公司 2016-08-24 CN claimed
US-8669383-B2 Preparation of aminomethyl furans and alkoxymethyl furan derivatives from carbohydrates ARCHER DANIELS MIDLAND COMPANY (US) 2014-03-11 US claimed
CN-103443090-A Preparation of aminomethyl furan and alkoxymethyl furan derivatives from carbohydrates ARCHER DANIELS MIDLAND CO 2013-12-11 CN claimed
US-20130303791-A1 PREPARATION OF AMINOMETHYL FURANS AND ALKOXYMETHYL FURAN DERIVATIVES FROM CARBOHYDRATES ARCHER DANIELS MIDLAND COMPANY (US) 2013-11-14 US claimed
EP-2651910-A1 PREPARATION OF AMINOMETHYL FURANS AND ALKOXYMETHYL FURAN DERIVATIVES FROM CARBOHYDRATES Archer-Daniels-Midland Company (US) 2013-10-23 EP claimed
WO-2012082665-A1 PREPARATION OF AMINOMETHYL FURANS AND ALKOXYMETHYL FURAN DERIVATIVES FROM CARBOHYDRATES ARCHER DANIELS MIDLAND COMPANY (US) 2012-06-21 WO claimed
EP-4205741-A1 USE OF COMPOUND AS CYP2E1 INHIBITOR Shanghai Ling Xi Biotechnology Development Co., Ltd. (CN) 2023-07-05 EP disclosed
US-10392715-B2 Electrochemical reductive amination of furfural-based molecules WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-08-27 US disclosed
US-10392715-B2 Electrochemical reductive amination of furfural-based molecules WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-08-27 US disclosed
US-20180057949-A1 ELECTROCHEMICAL REDUCTIVE AMINATION OF FURFURAL-BASED MOLECULES UNITED STATES DEPARTMENT OF ENERGY 2018-03-01 US disclosed
US-20180057949-A1 ELECTROCHEMICAL REDUCTIVE AMINATION OF FURFURAL-BASED MOLECULES UNITED STATES DEPARTMENT OF ENERGY 2018-03-01 US disclosed
US-20180057949-A1 ELECTROCHEMICAL REDUCTIVE AMINATION OF FURFURAL-BASED MOLECULES UNITED STATES DEPARTMENT OF ENERGY 2018-03-01 US disclosed
WO-2003059893-A1 N-PYRAZINYL-PHENYLSULPHONAMIDES AND THEIR USE IN THE TREATMENT OF CHEMOKINE MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-07-24 WO disclosed
WO-2003018589-A1 NOVEL 4-AMINOFUROPYRIMIDINES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2003-03-06 WO disclosed
US-4871765-A GASTROINTESTINAL DISORDERS TOYAMA CHEMICAL CO., LTD. (JP) 1989-10-03 US disclosed
US-4279819-A GASTROINTESTINAL DISORDERS ALLEN & HANBURYS LTD. (GB) 1981-07-21 US disclosed
US-4255440-A ANTIALLERGENS, ANTIULCER AGENTS ALLEN & HANBURYS LIMITED (GB) 1981-03-10 US disclosed
US-4169855-A ANTIHISTAMINES, ANTISECRETORY AGENTS Allen & Hansbury, Limited (GB) 1979-10-02 US disclosed
US-4128658-A HISTAMINE ANTAGONISTS ALLEN & HANBURYS LIMITED (GB) 1978-12-05 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 (3 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-20130303791-A1 PREPARATION OF AMINOMETHYL FURANS AND ALKOXYMETHYL FURAN DERIVATIVES FROM CARBOHYDRATES DERA, HRH3, HRH4 CD274 2799/4885SOS1 3960/4885CYP2A6 1764/4885
US-20180057949-A1 ELECTROCHEMICAL REDUCTIVE AMINATION OF FURFURAL-BASED MOLECULES BLVRB, GFPT1, DCXR CD274 3037/4885SOS1 4516/4885CYP2A6 1191/4885
US-10392715-B2 Electrochemical reductive amination of furfural-based molecules BLVRB, GFPT1, DCXR CD274 3037/4885SOS1 4516/4885CYP2A6 1191/4885

“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.