SCHEMBL295727

SCHEMBL295727

[c]1ccccc1-c1ncc[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.52
MTOR P42345 1/20 0.52
ADK P55263 1/20 0.52
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ADRA2A P08913 4/20 0.44
CSNK1A1 P48729 1/20 0.40
TYRO3 Q06418 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
IDO1 P14902 1/20 0.36
KDM4E B2RXH2 2/20 0.36
KCNK13 Q9HB14 1/20 0.35
TAAR1 Q96RJ0 2/20 0.35
ADRA2C P18825 3/20 0.34
ADRA2B P18089 2/20 0.34
ADRA1A P35348 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL15563778 0.78
SCHEMBL7391931 0.76 NISCH (0.56) NISCHMTORADKALDH1A1MEN1
SCHEMBL15987709 0.76 NISCH (0.46) NISCHMTORADKALDH1A1MEN1
SCHEMBL297602 0.74 NISCH (0.48) NISCHMTORADKALDH1A1MEN1
SCHEMBL2706724 0.73 NISCH (0.42) NISCHMTORADKALDH1A1MEN1
SCHEMBL2093036 0.73 MTOR (0.44) NISCHMTORADKALDH1A1MEN1
SCHEMBL7764574 0.73 NISCH (0.39) NISCHMTORADKALDH1A1MEN1
SCHEMBL27489451 0.72 ADRA2A (0.46) NISCHMTORADKALDH1A1MEN1
SCHEMBL9287236 0.70 NISCH (0.64) NISCHMTORADKALDH1A1MEN1
SCHEMBL7313528 0.70 NISCH (0.51) NISCHMTORADKALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132531-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2024-04-25 US claimed
US-20230374014-A1 CGAS INHIBITING TRIAZOLOPYRIMIDONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-11-23 US claimed
CN-117043156-A Novel galectin inhibitors of galectins 格莱克特生物技术公司 2023-11-10 CN claimed
EP-4267568-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS Galecto Biotech AB (DK) 2023-11-01 EP claimed
EP-4267570-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS Galecto Biotech AB (DK) 2023-11-01 EP claimed
CN-116710447-A Novel galectin inhibitors of galectins 格莱克特生物技术公司 2023-09-05 CN claimed
US-20230220161-A1 POLYIMIDE PRECURSOR PREPARED BY USING POLYCYCLIC MONOMER INCLUDING TRIFLUOROMETHYL GROUP AND FLEXIBLE POLYIMIDE OBTAINED BY USING THE SAME KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2023-07-13 US claimed
WO-2023118267-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2023-06-29 WO claimed
EP-4153593-A1 CGAS INHIBITING TRIAZOLOPYRIMIDONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-03-29 EP claimed
CN-115667265-A CGAS-inhibiting triazolopyrimidinone derivatives 豪夫迈·罗氏有限公司 2023-01-31 CN claimed
CN-1157617-A Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-20 CN claimed
EP-0770079-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-02 EP claimed
WO-1996033170-A1 N-AROYLAMINO ACID AMIDES AS ENDOTHELIN INHIBITORS NOVARITS AG (CH) 1996-10-24 WO claimed
EP-0728145-A1 ENDOTHELIN RECEPTOR ANTAGONISTS Ciba-Geigy Japan Limited (JP) 1996-08-28 EP claimed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 WO claimed
WO-1995012611-A1 ENDOTHELIN RECEPTOR ANTAGONISTS JAPAT LTD. (CH) 1995-05-11 WO claimed
EP-0279787-A1 Pharmaceutical compositions with synergistic antisecretory action for the healing of gastroduodenal ulcer ISTITUTO DE ANGELI S.p.A. (IT) 1988-08-24 EP claimed
EP-0076530-B1 NOVEL N-(3-HYDROXY-4-PIPERIDINYL)BENZAMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1985-12-11 EP claimed
EP-0076530-A2 Novel N-(3-hydroxy-4-piperidinyl)benzamide derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1983-04-13 EP claimed
EP-0007678-B1 OXIME ETHERS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ACF CHEMIEFARMA NV (NL) 1983-03-30 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 (2 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-20240132531-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS LGALS1, LGALS3, LGALS3BP NISCH 4037/4885MTOR 1114/4885ADK 2239/4885
US-20230374014-A1 CGAS INHIBITING TRIAZOLOPYRIMIDONE DERIVATIVES CGAS, GLS2, GBA3 NISCH 3138/4885MTOR 1775/4885ADK 379/4885

“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.