SCHEMBL10489352

SCHEMBL10489352

CCCCNc1ccc2ccccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
CYP1A2 P05177 3/20 0.60
CYP3A4 P08684 2/20 0.60
HSD17B10 Q99714 2/20 0.60
CYP2C19 P33261 2/20 0.60
HIF1A Q16665 2/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
EPHX1 P07099 1/20 0.54
PPARG P37231 1/20 0.53
HDAC3 O15379 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
TLR8 Q9NR97 1/20 0.47
HPGD P15428 1/20 0.46
TLR7 Q9NYK1 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
SCHEMBL8589161 0.95 EPHX1 (0.60) ALDH1A1CYP1A2CYP3A4HSD17B10CYP2C19
SCHEMBL11686248 0.93 EPHX1 (0.62) ALDH1A1CYP1A2CYP3A4HSD17B10CYP2C19
SCHEMBL11684481 0.93 EPHX1 (0.62) ALDH1A1CYP1A2CYP3A4HSD17B10CYP2C19
SCHEMBL27789667 0.93 EPHX1 (0.62) ALDH1A1CYP1A2CYP3A4HSD17B10CYP2C19
SCHEMBL11683978 0.93 EPHX1 (0.62) ALDH1A1CYP1A2CYP3A4HSD17B10CYP2C19
SCHEMBL11129979 0.93 EPHX1 (0.62) ALDH1A1CYP1A2CYP3A4HSD17B10CYP2C19
SCHEMBL10583953 0.93 EPHX1 (0.62) ALDH1A1CYP1A2CYP3A4HSD17B10CYP2C19
SCHEMBL11684553 0.93 EPHX1 (0.62) ALDH1A1CYP1A2CYP3A4HSD17B10CYP2C19
SCHEMBL11683181 0.93 EPHX1 (0.62) ALDH1A1CYP1A2CYP3A4HSD17B10CYP2C19
SCHEMBL11684686 0.93 EPHX1 (0.62) ALDH1A1CYP1A2CYP3A4HSD17B10CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents WILLIAM MARSH RICE UNIVERSITY (US) 2023-09-26 US disclosed
US-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents WILLIAM MARSH RICE UNIVERSITY (US) 2023-09-26 US disclosed
US-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents WILLIAM MARSH RICE UNIVERSITY (US) 2023-09-26 US disclosed
CN-113302226-A Hydroxyl urethane (meth) acrylate prepolymers for use in 3D printing 巴斯夫欧洲公司 2021-08-24 CN disclosed
WO-2018213572-A9 PREPARATION OF SECONDARY AMINES WITH ELECTROPHILIC N-LINCHPIN REAGENTS WILLIAM MARSH RICE UNIVERSITY (US) 2018-12-13 WO disclosed
WO-2018213572-A1 PREPARATION OF SECONDARY AMINES WITH ELECTROPHILIC N-LINCHPIN REAGENTS WILLIAM MARSH RICE UNIVERSITY (US) 2018-11-22 WO disclosed
EP-2532652-B1 THERAPEUTIC AGENT FOR HEPATITIS C UNIV KAGOSHIMA (JP) 2014-11-12 EP disclosed
US-20120316342-A1 THERAPEUTIC AGENT FOR HEPATITIS C ONCOLYS BIOPHARMA, INC. (JP) 2012-12-13 US disclosed
EP-2532652-A1 THERAPEUTIC AGENT FOR HEPATITIS C Kagoshima University (JP) 2012-12-12 EP disclosed
EP-0933354-B1 CALCIUM RECEPTOR-ACTIVE COMPOUNDS KYOWA HAKKO KIRIN CO LTD (JP) 2011-03-30 EP disclosed
CN-101222922-A Diarylhydantoin compounds UNIV CALIFORNIA (US) 2008-07-16 CN disclosed
US-4833243-A BENZOOXAZOLES OR BENZOTHIAZOLES BAYER AKTIENGESELLSCHAFT (DE) 1989-05-23 US disclosed
US-4756741-A Azolyloxy-carboxylic acid amide compounds and herbicidal compositions BAYER AKTIENGESELLSCHAFT (DE) 1988-07-12 US disclosed
US-4645525-A Azolyoxy-carboxylic acid amide compounds and herbicidal compositions BAYER AKTIENGESELLSCHAFT (DE) 1987-02-24 US disclosed
US-4509971-A Benzothiazole substituted carboxylic acid amide compounds and herbicidal methods compositions thereof BAYER AKTIENGESELLSCHAFT (DE) 1985-04-09 US disclosed
US-4455428-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1984-06-19 US disclosed
US-4399285-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1983-08-16 US disclosed
US-4334073-A BASIC CATALYSTS, DEACETYLATION, ESTERIFICATION BAYER AKTIENGESELLSCHAFT (DE) 1982-06-08 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-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents PNMT, NCL, NPM1 ALDH1A1 1805/4885CYP1A2 2396/4885CYP3A4 3968/4885
US-20120316342-A1 THERAPEUTIC AGENT FOR HEPATITIS C HAVCR2, SLC10A1, FABP1 ALDH1A1 251/4885CYP1A2 3170/4885CYP3A4 4282/4885

“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.