SCHEMBL56059

SCHEMBL56059

O=CNCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.61
ADH1C P00326 1/20 0.61
ADH1A P07327 1/20 0.61
ADH7 P40394 1/20 0.61
SIGMAR1 Q99720 11/20 0.57
GAA P10253 2/20 0.54
MAPT P10636 2/20 0.54
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
CYP3A4 P08684 2/20 0.52
ATM Q13315 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
NPC1 O15118 1/20 0.52
KDM1A O60341 1/20 0.52
CYP1A2 P05177 1/20 0.52
HTR1A P08908 1/20 0.52
ADRA2A P08913 1/20 0.52
CYP2C8 P10632 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52

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
Ethyne SCHEMBL1921118 0.96 ADH1B (0.57) ADH1BADH1CADH1AADH7SIGMAR1
SCHEMBL8763412 0.88 LMNA (0.50) ADH1BADH1CADH1AADH7SIGMAR1
SCHEMBL5420664 0.88 FFAR1 (0.48) ADH1BADH1CADH1AADH7SIGMAR1
SCHEMBL1270023 0.87 SIGMAR1 (0.67) ADH1BADH1CADH1AADH7SIGMAR1
SCHEMBL1356645 0.87 SIGMAR1 (0.65) ADH1BADH1CADH1AADH7SIGMAR1
SCHEMBL17715340 0.85 SIGMAR1 (0.70) ADH1BADH1CADH1AADH7SIGMAR1
SCHEMBL4311007 0.85 SIGMAR1 (0.70) ADH1BADH1CADH1AADH7SIGMAR1
SCHEMBL17715339 0.85 SIGMAR1 (0.70) ADH1BADH1CADH1AADH7SIGMAR1
SCHEMBL4449498 0.85 SIGMAR1 (0.70) ADH1BADH1CADH1AADH7SIGMAR1
SCHEMBL11077277 0.85 SIGMAR1 (0.70) ADH1BADH1CADH1AADH7SIGMAR1

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 1827 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109053644-B Rapid synthesis method of biomass amine amide 南京农业大学 2022-07-15 CN claimed
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US claimed
EP-3728214-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2020-10-28 EP claimed
CN-111727185-A Substituted N-heterocyclyl-and N-heteroaryltetrahydropyrimidines and their salts and their use as herbicidal active substances 拜耳公司 2020-09-29 CN claimed
CN-111518051-A Aliphatic group substituted thiazolinone compound, preparation method, medicinal composition and application thereof 中国科学技术大学 2020-08-11 CN claimed
US-20200095241-A1 SUBSTITUTED 1,2,4-THIADIAZOLYLPYRROLONES AND 1,2,4-THIADIAZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-03-26 US claimed
CN-107827817-B Method for synthesizing formamide derivative through molybdenum catalytic formylation reaction 湘潭大学 2020-03-13 CN claimed
US-20200079765-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2020-03-12 US claimed
WO-2020029846-A1 RAPID SYNTHESIS METHOD FOR BIOMASS-BASED AMINE COMPOUND 南京农业大学 2020-02-13 WO claimed
CN-107827816-B Method for synthesizing formamide derivative through graphene oxide catalytic formylation reaction 湘潭大学 2020-01-10 CN claimed
EP-0391188-A1 Fungicide agents based on partly known nitro substituted benzothiazolones, new nitro substituted benzothiazolones and process for their preparation BAYER AG (DE) 1990-10-10 EP claimed
WO-1989007451-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1989-08-24 WO claimed
EP-0152759-B1 AMINOISOTHIAZOLE COMPOUNDS BASF Aktiengesellschaft (DE) 1989-08-23 EP claimed
EP-0328089-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 EP claimed
EP-0150034-B1 DERIVATIVES OF 2-AMINOTHIOPHENE BASF Aktiengesellschaft (DE) 1989-08-02 EP claimed
US-4785116-A Aminoisothiazole compounds BASF AKTIENGESELLSCHAFT (DE) 1988-11-15 US claimed
US-4716162-A BRAIN FUNCTION SANKYO COMPANY, LIMITED (JP) 1987-12-29 US claimed
US-4315855-A Monoazo disperse dyes containing a nitrophenyl group and a homophthalimide group BASF AKTIENGESELLSCHAFT (DE) 1982-02-16 US claimed
US-4150240-A Method for preparing d-penicillamine and salts thereof TAISHO PHARMACEUTICAL CO., LTD. (JP) 1979-04-17 US claimed
US-3956326-A AZO DYE BASF AKTIENGESELLSCHAFT (DT) 1976-05-11 US claimed

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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS ADH1B 258/4885ADH1C 295/4885ADH1A 660/4885
US-20200079765-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES DDT, HPD, PAH ADH1B 559/4885ADH1C 372/4885ADH1A 781/4885
US-20200095241-A1 SUBSTITUTED 1,2,4-THIADIAZOLYLPYRROLONES AND 1,2,4-THIADIAZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDES DDT, HPD, PAH ADH1B 431/4885ADH1C 175/4885ADH1A 383/4885

“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.