Sugi Predict

Sugi Predict / Compounds / SCHEMBL126484

SCHEMBL126484

SCHEMBL126484

[CH2]Cc1cccc(C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.50
▸ CYP19A1 P11511 1/20 0.47
▸ CYP11B1 P15538 1/20 0.47
▸ CYP11B2 P19099 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ MRGPRX4 Q96LA9 1/20 0.45
▸ MEP1A Q16819 1/20 0.45
▸ MEP1B Q16820 1/20 0.45
▸ ENPP2 Q13822 1/20 0.44
▸ FAAH O00519 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ KDM1A O60341 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ DAO P14920 1/20 0.42
▸ IDH1 O75874 1/20 0.42
▸ FFAR1 O14842 1/20 0.42

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
SCHEMBL7634582 0.83 GLA (0.47) GLACYP19A1CYP11B1CYP11B2HRH3
SCHEMBL2153847 0.82 HRH3 (0.59) GLACYP19A1CYP11B1CYP11B2HRH3
SCHEMBL2154019 0.82 GLA (0.53) GLACYP19A1CYP11B1CYP11B2HRH3
SCHEMBL5545471 0.80 HTR2B (0.46) GLACYP19A1CYP11B1CYP11B2HRH3
SCHEMBL5090668 0.80 GLA (0.51) GLACYP19A1CYP11B1CYP11B2HRH3
SCHEMBL3161114 0.79 MRGPRX4 (0.50) GLACYP19A1CYP11B1CYP11B2HRH3
SCHEMBL3022843 0.79 HTR2B (0.45) GLACYP19A1CYP11B1CYP11B2HRH3
SCHEMBL20838047 0.78 CA12 (0.41) GLAFFAR1
SCHEMBL3063453 0.78 ENPP2 (0.53) GLACYP19A1CYP11B1CYP11B2HRH3
Water SCHEMBL5709133 0.78 LOXL2 (0.61) GLACYP19A1CYP11B1CYP11B2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023222644-A1 PYRAZOLE DERIVATIVES AS STING AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2023-11-23 — — WO claimed
CN-112867706-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2021-05-28 — — CN claimed
EP-3802489-A2 MASP-2 INHIBITORS AND METHODS OF USE Omeros Corporation (US) 2021-04-14 — — EP claimed
US-20190053492-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2019-02-21 — — US claimed
WO-2019025153-A1 USE OF SUBSTITUTED N-SULFONYL-N'-ARYL DIAMINOALKANES AND N-SULFONYL-N'-HETEROARYL DIAMINOALKANES OR SALTS THEREOF FOR INCREASING THE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-02-07 — — WO claimed
EP-3429997-A1 N-(CYANOBENZYL)-6-(CYCLOPROPYL-CARBONYLAMINO)-4-(PHENYL)-PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PESTICIDES AND PLANT PROTECTION AGENTS Bayer CropScience Aktiengesellschaft (DE) 2019-01-23 — — EP claimed
CN-109071444-A N- (cyanobenzyl) -6- (cyclopropyl-carbonylamino) -4- (phenyl) -pyridine-2-carboxamide derivatives and related compounds as pesticides and plant protection agents 拜耳作物科学股份公司 2018-12-21 — — CN claimed
WO-2017223514-A9 LXR INVERSE AGONISTS FOR TREATMENT OF CANCER SAINT LOUIS UNIVERSITY (US) 2018-04-12 — — WO claimed
WO-2017223514-A1 LXR INVERSE AGONISTS FOR TREATMENT OF CANCER SAINT LOUIS UNIVERSITY (US) 2017-12-28 — — WO claimed
WO-2017157885-A1 N-(CYANOBENZYL)-6-(CYCLOPROPYL-CARBONYLAMINO)-4-(PHENYL)-PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PESTICIDES AND PLANT PROTECTION AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-09-21 — — WO claimed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 — — EP claimed
US-20080139575-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-12 — — US claimed
US-20080132545-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-05 — — US claimed
WO-2008033572-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2008-03-20 — — WO claimed
CN-101137628-A Non-anilinic derivatives of isothiazol-3(2h)-one 1,1-dioxides as liver x receptor modulators ASTRAZENECA AB (SE) 2008-03-05 — — CN claimed
WO-2008016643-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 — — WO claimed
EP-1838687-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 — — EP claimed
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 — — WO claimed
WO-2006073366-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 — — WO claimed
EP-0031104-A1 Thiazolidine compounds, processes for their preparation and pharmaceutical compositions containing them SANTEN PHARMACEUTICAL CO., LTD. (JP) 1981-07-01 — — EP 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-20190053492-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS PESTICIDES CHRM1, CHRM2, ACHE GLA 3410/4885CYP19A1 249/4885CYP11B1 697/4885
US-20080139575-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 GLA 980/4885CYP19A1 3475/4885CYP11B1 511/4885
US-20080132545-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 GLA 980/4885CYP19A1 3475/4885CYP11B1 511/4885

“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.