SCHEMBL853950

SCHEMBL853950

C#Cc1cccc(C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.48
TSHR P16473 1/20 0.48
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
GSK3B P49841 2/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
GRM5 P41594 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
SCHEMBL11243108 0.88 DRD2 (0.42) ENPP2TSHRCA12CA1CA2
Cyanide SCHEMBL27586563 0.87 TSHR (0.55) ENPP2TSHRCLK4GSK3BDRD2
SCHEMBL9289 0.87 TSHR (0.61) ENPP2TSHRCLK4GSK3BDRD2
Water SCHEMBL28137572 0.87 TSHR (0.61) ENPP2TSHRCLK4GSK3BDRD2
SCHEMBL1502312 0.87 CA12 (0.54) CA12CA1CA2CA9CA14
SCHEMBL2817154 0.87 TSHR (0.61) ENPP2TSHRCLK4GSK3BDRD2
SCHEMBL23902294 0.85 FFAR1 (0.51) TSHRCA12CA1CA2CA9
SCHEMBL11243828 0.84 SLC6A2 (0.41) ENPP2TSHRCA12CA1CA2
Fluoride SCHEMBL28362409 0.84 TSHR (0.58) ENPP2TSHRCLK4GSK3BDRD2
SCHEMBL10481162 0.84 CA12 (0.52) CA12CA1CA2CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115872993-B Method for continuously synthesizing piperidone by photoinduction 南京工业大学 2024-12-10 CN claimed
CN-115872993-A Method for continuously synthesizing piperidone through photoinduction 南京工业大学 2023-03-31 CN claimed
CN-113548968-B Method for synthesizing (Z) -olefin by nickel-catalyzed iron-mediated alkyne fluoroalkyl and product 南京工业大学 2022-05-03 CN claimed
CN-113548968-A Method for synthesizing (Z) -olefin by nickel-catalyzed iron-mediated alkyne fluoroalkyl and product 南京工业大学 2021-10-26 CN claimed
US-7951827-B2 Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2011-05-31 US claimed
CN-1869027-A Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles UNIV NORTH CAROLINA (US) 2006-11-29 CN claimed
US-20060264487-A1 Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles TIDWELL RICHARD R 2006-11-23 US claimed
EP-1719767-A1 Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles The University of North Carolina at Chapel Hill (US) 2006-11-08 EP claimed
EP-4271674-B9 CARBOXY-BENZIMIDAZOLE GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES INC (US) 2026-03-11 EP disclosed
EP-4271674-B3 CARBOXY-BENZIMIDAZOLE GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES INC (US) 2025-12-03 EP disclosed
US-20250312352-A1 GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2025-10-09 US disclosed
US-20250186441-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES OXALURX, INC. 2025-06-12 US disclosed
EP-4520393-A2 CARBOXY-BENZIMIDAZOLE GLP-1R MODULATING COMPOUNDS Gilead Sciences, Inc. (US) 2025-03-12 EP disclosed
EP-4271674-B1 CARBOXY-BENZIMIDAZOLE GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES INC (US) 2025-02-12 EP disclosed
WO-2005094822-A1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-10-13 WO disclosed
US-20050209225-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-09-22 US disclosed
US-6855722-B2 Substituted indoles and their use as integrin antagonists DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-02-15 US disclosed
EP-1425010-A1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2004-06-09 EP disclosed
US-20020169200-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-11-14 US disclosed
WO-2002060438-A1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-08-08 WO 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 (5 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-20250312352-A1 GLP-1R MODULATING COMPOUNDS GLP1R, GIPR, GPR119 ENPP2 378/4885TSHR 120/4885CA12 4646/4885
US-20060264487-A1 Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles PFAS, DHPS, DDO ENPP2 2465/4885TSHR 4453/4885CA12 3951/4885
US-20050209225-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGA5, ITGB5 ENPP2 1311/4885TSHR 130/4885CA12 4067/4885
US-20020169200-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGAL, ITGA5 ENPP2 1314/4885TSHR 156/4885CA12 4396/4885
US-20250186441-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES XDH, PNPO, OAT ENPP2 73/4885TSHR 4455/4885CA12 857/4885

“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.