SCHEMBL552070

SCHEMBL552070

Cn1c(=O)n(C)c2cc[c]cc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
SMN1; SMN2 Q16637 6/20 0.40
ALDH1A1 P00352 5/20 0.40
BRD4 O60885 2/20 0.40
BRPF1 P55201 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.39
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.37
ATAD2 Q6PL18 1/20 0.36
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL16506642 0.86 ALDH1A1 (0.39) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2
SCHEMBL16506448 0.84 ALDH1A1 (0.36) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2
SCHEMBL474339 0.72 CYP1A2 (0.55) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2
SCHEMBL29798837 0.72 CYP1A2 (0.55) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2
SCHEMBL975060 0.71 GPR3 (0.44) ALDH1A1HSD17B10KDM4EHTTMEN1
SCHEMBL975434 0.71 GPR3 (0.44) ALDH1A1HSD17B10KDM4EHTTMEN1
SCHEMBL1450538 0.71 BRPF1 (0.55) PIK3CDPIK3CAPIK3CBPIK3CGBRD4
SCHEMBL687655 0.71 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1KDM4ECYP1A2LMNA
SCHEMBL4198329 0.71 BRPF1 (0.55) PIK3CDPIK3CAPIK3CBPIK3CGBRD4
Hydrochloric Acid SCHEMBL30293270 0.70 CYP1A2 (0.53) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115867277-A Novel fused heterocyclyl-carbohydrazone acyldinitrile compounds and use thereof 韩国科学技术研究院 2023-03-28 CN claimed
EP-1968972-B1 ARYL-ISOXAZOLO-4-YL-OXADIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-11-28 EP claimed
US-8110570-B2 Modulators of acetyl-coenzyme A carboxylase and methods of use thereof CROPSOLUTION, INC. (US) 2012-02-07 US claimed
JP-2011528034-A 2011-11-10 JP claimed
US-7956074-B2 Aryl-isoxazolo-4-yl-oxadiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2011-06-07 US claimed
EP-2310015-A1 MODULATORS OF ACETYL-COENZYME A CARBOXYLASE AND METHODS OF USE THEREOF Cropsolution, Inc. (US) 2011-04-20 EP claimed
WO-2010008521-A1 MODULATORS OF ACETYL-COENZYME A CARBOXYLASE AND METHODS OF USE THEREOF CROPSOLUTION, INC. (US) 2010-01-21 WO claimed
US-20100009982-A1 Modulators of Acetyl-Coenzyme A Carboxylase and Methods of Use Thereof CROPSOLUTION, INC. 2010-01-14 US claimed
US-20090197875-A1 ARYL-ISOXAZOLO-4-YL-OXADIAZOLE DERIVATIVES BUETTELMANN BERND 2009-08-06 US claimed
EP-1968972-A1 ARYL-ISOXAZOLO-4-YL-OXADIAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2008-09-17 EP claimed
US-20070161686-A1 Aryl-isoxazolo-4-yl-oxadiazole derivatives HOFFMANN-LA ROCHE INC. 2007-07-12 US claimed
WO-2007071598-A1 ARYL-ISOXAZOLO-4-YL-OXADIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-28 WO claimed
EP-0462831-B1 Bicyclic pyran derivatives and their use as inhibitors of 5-lipoxygenase ZENECA LTD (GB) 1996-02-28 EP claimed
EP-0462812-B1 Pyran derivatives as inhibitors of 5-lipoxygenase ZENECA LTD (GB) 1995-12-06 EP claimed
US-5179115-A Antiinflammatory agents, antiallergens IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-01-12 US claimed
EP-0462831-A2 Bicyclic pyran derivatives and their use as inhibitors of 5-lipoxygenase ZENECA LIMITED (GB) 1991-12-27 EP claimed
EP-0462812-A2 Pyran derivatives as inhibitors of 5-lipoxygenase ZENECA LIMITED (GB) 1991-12-27 EP claimed
WO-2024009308-A1 TRPV2 CHANNEL BLOCKERS AND USE THEREOF ICHILOV TECH LTD. (IL) 2024-01-11 WO disclosed
EP-0462830-A2 Cyclic ether derivatives ZENECA LIMITED (GB) 1991-12-27 EP disclosed
EP-0462831-A2 Bicyclic pyran derivatives and their use as inhibitors of 5-lipoxygenase ZENECA LIMITED (GB) 1991-12-27 EP 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 (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-20090197875-A1 ARYL-ISOXAZOLO-4-YL-OXADIAZOLE DERIVATIVES GABRA5, GABRA4, GABRA3 PIK3CD 2280/4885PIK3CA 2796/4885PIK3CB 2778/4885
US-20070161686-A1 Aryl-isoxazolo-4-yl-oxadiazole derivatives GABRA5, GABRA4, GABRA3 PIK3CD 2280/4885PIK3CA 2796/4885PIK3CB 2778/4885
US-20100009982-A1 Modulators of Acetyl-Coenzyme A Carboxylase and Methods of Use Thereof ACACA, ACAT1, ACACB PIK3CD 2132/4885PIK3CA 1144/4885PIK3CB 1159/4885

“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.