Sugi Predict

Sugi Predict / Compounds / SCHEMBL3636052

SCHEMBL3636052

SCHEMBL3636052

CC(N)c1ccc2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 3/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ NOS2 P35228 1/20 0.48
▸ BACE1 P56817 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ CA12 O43570 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ MAPT P10636 3/20 0.43
▸ TP53 P04637 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ PRNP P04156 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ MEN1 O00255 2/20 0.40

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
SCHEMBL28457794 1.00 NCF1 (0.48) NCF1CYP1A2NOS2BACE1ALDH1A1
SCHEMBL30238578 1.00 NCF1 (0.48) NCF1CYP1A2NOS2BACE1ALDH1A1
SCHEMBL20559366 1.00 NCF1 (0.48) NCF1CYP1A2NOS2BACE1ALDH1A1
Iodide SCHEMBL28674255 0.98 NCF1 (0.47) NCF1CYP1A2NOS2BACE1ALDH1A1
SCHEMBL827081 0.83 CYP1A2 (0.52) NCF1CYP1A2NOS2BACE1ALDH1A1
Bromide SCHEMBL29161153 0.81 CYP1A2 (0.50) NCF1CYP1A2NOS2BACE1ALDH1A1
SCHEMBL19557531 0.79 CYP1A2 (0.48) NCF1CYP1A2NOS2BACE1ALDH1A1
SCHEMBL18426840 0.79 CYP1A2 (0.48) NCF1CYP1A2NOS2BACE1ALDH1A1
SCHEMBL1261380 0.79 CYP1A2 (0.48) NCF1CYP1A2NOS2BACE1ALDH1A1
SCHEMBL3089963 0.79 CYP1A2 (0.48) NCF1CYP1A2NOS2BACE1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104804903-B Semiconductor cleaning agent with metal line 恩特格里斯公司 2018-10-30 — — CN claimed
US-9174906-B2 Process for producing optically active secondary alcohol KANTO KAGAKU KABUSHIKI KAISHA (JP) 2015-11-03 — — US claimed
EP-2865446-A1 Process for producing optically active secondary alcohol Kanto Kagaku Kabushiki Kaisha (JP) 2015-04-29 — — EP claimed
US-20150031920-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SECONDARY ALCOHOL NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2015-01-29 — — US claimed
CN-111518166-B Peptidomimetics compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof 中国药科大学 2023-01-31 — — CN disclosed
CN-109563045-B Pd (II) -catalysed enantioselective beta-methylene C (sp) 3 ) -H bond activation 斯克里普斯研究学院 2022-08-23 — — CN disclosed
CN-109563045-B Pd (II) -catalysed enantioselective beta-methylene C (sp) 3 ) -H bond activation 斯克里普斯研究学院 2022-08-23 — — CN disclosed
US-11420944-B2 Voltage-dependent t-type calcium channel blocker NIPPON CHEMIPHAR CO., LTD. (JP) 2022-08-23 — — US disclosed
CN-112312902-B Pd (II) -catalyzed enantioselective C-H arylation of free carboxylic acids 斯克里普斯研究学院 2022-02-18 — — CN disclosed
US-11186563-B2 Pd(II)-catalyzed enantioselective β-methylene C(sp3)—H bond activation THE SCRIPPS RESEARCH INSTITUTE (US) 2021-11-30 — — US disclosed
US-11186563-B2 Pd(II)-catalyzed enantioselective β-methylene C(sp3)—H bond activation THE SCRIPPS RESEARCH INSTITUTE (US) 2021-11-30 — — US disclosed
US-20210292311-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2021-09-23 — — US disclosed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 — — WO disclosed
CN-101230060-A Substitutional piperidines SPEEDEL EXPERIMENTA AG (CH) 2008-07-30 — — CN disclosed
CN-101151262-A Substituted piperidines SPEEDEL EXPERIMENTA AG (CH) 2008-03-26 — — CN disclosed
EP-1867654-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE QUINUCLIDINOL Nagoya Industrial Science Research Institute (JP) 2007-12-19 — — EP disclosed
US-6331549-B1 TREATMENT OF URINARY STRESS INCONTINENCE, VENOUS INSUFFICIENCY, VENOUS ULCERS, MIGRAINE OR GASTROINTESTINAL DISORDERS SANOFI-SYNTHELABO (FR) 2001-12-18 — — US disclosed
US-6331549-B1 TREATMENT OF URINARY STRESS INCONTINENCE, VENOUS INSUFFICIENCY, VENOUS ULCERS, MIGRAINE OR GASTROINTESTINAL DISORDERS SANOFI-SYNTHELABO (FR) 2001-12-18 — — US disclosed
US-6331549-B1 TREATMENT OF URINARY STRESS INCONTINENCE, VENOUS INSUFFICIENCY, VENOUS ULCERS, MIGRAINE OR GASTROINTESTINAL DISORDERS SANOFI-SYNTHELABO (FR) 2001-12-18 — — US disclosed
US-4253886-A Corrosion resistant ferromagnetic metal powders and method of preparing the same FUJI PHOTO FILM CO., LTD. (JP) 1981-03-03 — — 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 (4 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-20150031920-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SECONDARY ALCOHOL ADH1A, ADH1C, ADH5 NCF1 1886/4885CYP1A2 29/4885NOS2 2953/4885
US-20210292311-A1 COMPOUNDS, COMPOSITIONS AND METHODS EIF4EBP1, EIF4B, EIF4E NCF1 781/4885CYP1A2 3176/4885NOS2 4730/4885
US-11420944-B2 Voltage-dependent t-type calcium channel blocker CACNA1I, CACNA1G, CACNA1E NCF1 2915/4885CYP1A2 827/4885NOS2 3279/4885
US-11186563-B2 Pd(II)-catalyzed enantioselective β-methylene C(sp3)—H bond activation POLQ, AP3D1, AP3S1 NCF1 4512/4885CYP1A2 1559/4885NOS2 4108/4885

“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.