SCHEMBL8099994

SCHEMBL8099994

CCCNc1ccc2ccccc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
CYP1A2 P05177 4/20 0.64
CYP3A4 P08684 2/20 0.64
HSD17B10 Q99714 2/20 0.64
CYP2C19 P33261 2/20 0.64
HIF1A Q16665 2/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
EPHX1 P07099 1/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 2/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 2/20 0.48
PPARG P37231 1/20 0.47
INSR P06213 1/20 0.47
IGF1R P08069 1/20 0.47
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46

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
SCHEMBL30447073 1.00 ALDH1A1 (0.64) ALDH1A1CYP1A2CYP3A4HSD17B10CYP2C19
Ammonia Solution, Strong SCHEMBL8652657 0.98 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP3A4HSD17B10CYP2C19
SCHEMBL10489352 0.89 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP3A4HSD17B10CYP2C19
SCHEMBL11605746 0.87 CYP1A2 (0.75) ALDH1A1CYP1A2CYP3A4HSD17B10CYP2C19
SCHEMBL8589161 0.87 EPHX1 (0.60) ALDH1A1CYP1A2CYP3A4HSD17B10CYP2C19
SCHEMBL11683181 0.85 EPHX1 (0.62) ALDH1A1CYP1A2CYP3A4HSD17B10CYP2C19
SCHEMBL11683978 0.85 EPHX1 (0.62) ALDH1A1CYP1A2CYP3A4HSD17B10CYP2C19
SCHEMBL11684553 0.85 EPHX1 (0.62) ALDH1A1CYP1A2CYP3A4HSD17B10CYP2C19
SCHEMBL10583953 0.85 EPHX1 (0.62) ALDH1A1CYP1A2CYP3A4HSD17B10CYP2C19
SCHEMBL11686248 0.85 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3567035-A1 N-SUBSTITUTED 2,5-DIOXO-AZOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Canbas Co. Ltd. (JP) 2019-11-13 EP disclosed
EP-3088397-B1 COMPOUNDS THAT ABROGATE THE CELL CYCLE G2 CHECKPOINT FOR USE IN THE TREATMENT OF CANCER CANBAS CO LTD (JP) 2019-04-10 EP disclosed
CN-109476583-A Vinylphenethylamines as neurotransmitter release agents 研究三角协会 2019-03-15 CN disclosed
US-20100215579-A1 PHEN-NAPHTHALENE AND PHEN-QUINOLINE DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (PA) 2010-08-26 US disclosed
US-6057371-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS, DRUG ABUSE, ANGINA, MIGRAINE, HYPERTENSION AND DEPRESSION VIRGINIA COMMONWEALTH UNIVERSITY (US) 2000-05-02 US disclosed
EP-0673407-A1 MIXED ETHYLENE ALPHA OLEFIN COPOLYMER MULTIFUNCTIONAL VISCOSITY MODIFIERS USEFUL IN LUBE OIL COMPOSITIONS EXXON CHEMICAL PATENTS INC. (US) 1995-09-27 EP disclosed
WO-1994013763-A1 MIXED ETHYLENE ALPHA OLEFIN COPOLYMER MULTIFUNCTIONAL VISCOSITY MODIFIERS USEFUL IN LUBE OIL COMPOSITIONS EXXON CHEMICAL PATENTS INC. (US) 1994-06-23 WO disclosed
US-4833243-A BENZOOXAZOLES OR BENZOTHIAZOLES BAYER AKTIENGESELLSCHAFT (DE) 1989-05-23 US disclosed
EP-0279681-A2 Saturated heterocyclic carboxamide derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-08-24 EP 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
US-4097524-A Process for the preparation of formamides ATLANTIC RICHFIELD COMPANY (US) 1978-06-27 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 (1 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-20100215579-A1 PHEN-NAPHTHALENE AND PHEN-QUINOLINE DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES APP, PSEN1, PSEN2 ALDH1A1 4509/4885CYP1A2 1528/4885CYP3A4 2744/4885

“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.