SCHEMBL822565

SCHEMBL822565

Cn1nc(-c2ccccc2)cc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
MAPT P10636 4/20 0.50
KMT2A Q03164 1/20 0.50
CYP11B1 P15538 3/20 0.46
CYP11B2 P19099 2/20 0.46
POLB P06746 2/20 0.46
STAT3 P40763 1/20 0.45
HSD11B1 P28845 1/20 0.44
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
PHGDH O43175 1/20 0.44

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
O-Xylene SCHEMBL10608254 0.93 MAPT (0.49) ALDH1A1MAPTKMT2ACYP11B1CYP11B2
SCHEMBL17279861 0.92 KMT2A (0.47) ALDH1A1MAPTKMT2ACYP11B1CYP11B2
SCHEMBL22307603 0.92 ALDH1A1 (0.46) ALDH1A1MAPTKMT2ACYP11B1CYP11B2
SCHEMBL14081503 0.91 ESRRA (0.52) ALDH1A1MAPTKMT2ACYP11B1CYP11B2
SCHEMBL14081499 0.91 ESRRA (0.52) ALDH1A1MAPTKMT2ACYP11B1CYP11B2
SCHEMBL17279807 0.89 ESRRA (0.58) ALDH1A1MAPTKMT2ACYP11B1POLB
SCHEMBL17372934 0.89 MAPT (0.53) ALDH1A1MAPTKMT2APOLB
SCHEMBL14458205 0.84 MAPT (0.46) ALDH1A1MAPTKMT2APOLB
SCHEMBL13098206 0.83 FYN (0.48) ALDH1A1MAPTKMT2ACYP11B1CYP11B2
SCHEMBL11711938 0.82 SMN1; SMN2 (0.47) ALDH1A1MAPTKMT2APOLBSTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106164060-A Oxirane compound and method for producing nitrogen-containing heterocyclic compound using same 日本电石工业株式会社 2016-11-23 CN claimed
CN-110483400-B Preparation method of pyrazole derivative 上海应用技术大学 2023-04-28 CN disclosed
CN-114075138-A Stable isotope labeled difenzoquat and synthetic method thereof 上海安谱实验科技股份有限公司 2022-02-22 CN disclosed
CN-110483400-A A kind of preparation method of pyrazole derivatives SHANGHAI INST TECH 2019-11-22 CN disclosed
CN-106164060-A Oxirane compound and method for producing nitrogen-containing heterocyclic compound using same 日本电石工业株式会社 2016-11-23 CN disclosed
US-20160178816-A1 NEAR-INFRARED-ABSORBING COMPOSITION, NEAR-INFRARED CUT FILTER OBTAINED USING SAME, PROCESS FOR PRODUCING SAID CUT FILTER, CAMERA MODULE AND PROCESS FOR PRODUCING SAME, AND SOLID PHOTOGRAPHING ELEMENT FUJIFILM CORPORATION (JP) 2016-06-23 US disclosed
US-9067919-B2 Use of dibenzofurans and dibenzothiophenes substituted by nitrogen-bonded five-membered heterocyclic rings in organic electronics BASF SE (DE) 2015-06-30 US disclosed
US-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
CN-85108315-A A kind of improved \" difenzoquat \" synthesis method 1987-05-13 CN disclosed
EP-0155492-A1 Preparation of 1-alkyl-3,5-diphenylpyrazoles AMERICAN CYANAMID COMPANY (US) 1985-09-25 EP disclosed
US-4482745-A ACETOPHENONE, METHYL BENZOATE, CALCIUM OXIDE AMERICAN CYANAMID COMPANY (US) 1984-11-13 US disclosed
EP-0023422-B1 HERBICIDAL SULFONAMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THEM E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-02-22 EP disclosed
WO-1981000665-A1 PLANT PHYSIOLOGICALLY ACTIVE COMPOSITION AND USE FISONS LTD (GB) 1981-03-19 WO disclosed
US-4170464-A SYNERGISTIC 1,2-DIALKYL-3,5-DIPHENYL PYRAZOLIUM SALT AND A PHENOXYACETIC ACID AMERICAN CYANAMID COMPANY (US) 1979-10-09 US disclosed
US-4162913-A HERBICIDE, CONTROLLING WILD OATS AMERICAN CYANAMID CO. (US) 1979-07-31 US disclosed
US-4014896-A Catalytic dehydrogenation process for the preparation of 3,4,5-trisubstituted pyrazoles AMERICAN CYANAMID COMPANY (US) 1977-03-29 US disclosed
US-3979409-A DEHYDROGENATION WITH N-BROMO OR N-CHLORO-SUCCINIMIDE AMERICAN CYANAMID COMPANY (US) 1976-09-07 US disclosed
US-3952010-A MULTISTAGE, FROM A KETONE AND AN ALDEHYDE, HYDRAZINE AMERICAN CYANAMID COMPANY (US) 1976-04-20 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-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 ALDH1A1 3778/4885MAPT 2725/4885KMT2A 3866/4885

“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.