SCHEMBL208465

SCHEMBL208465

[c]1ccc(-c2ncc[nH]2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.63
MTOR P42345 1/20 0.63
ADK P55263 1/20 0.63
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP19A1 P11511 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMPD3 Q9NY59 1/20 0.41
PDE4A P27815 3/20 0.39
PDE4B Q07343 3/20 0.39
PDE4C Q08493 3/20 0.39
PDE4D Q08499 3/20 0.39

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
SCHEMBL8797054 0.98 NISCH (0.61) NISCHMTORADKALDH1A1KDM4E
SCHEMBL7313533 0.84 CYP1A2 (0.54) NISCHMTORADKALDH1A1KDM4E
SCHEMBL722191 0.84 NISCH (0.78) NISCHMTORADKALDH1A1KDM4E
SCHEMBL862114 0.81 NISCH (0.75) NISCHMTORADKALDH1A1KDM4E
SCHEMBL23036850 0.78 NISCH (0.52) NISCHMTORADKALDH1A1KDM4E
2-Phenylimidazole SCHEMBL9719773 0.77 NISCH (1.00) NISCHMTORADKALDH1A1KDM4E
2-Phenylimidazole SCHEMBL8901 0.77 NISCH (1.00) NISCHMTORADKALDH1A1KDM4E
SCHEMBL1688472 0.77 NISCH (0.68) NISCHMTORADKALDH1A1KDM4E
SCHEMBL965214 0.76 NISCH (0.60) NISCHMTORADKALDH1A1KDM4E
2-Phenylimidazole SCHEMBL11072040 0.76 NISCH (0.95) NISCHMTORADKALDH1A1KDM4E

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 1327 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
WO-2023230217-A1 ANTILEISHMANIAL COMPOUNDS, COMPOSITIONS AND USE THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2023-11-30 WO claimed
US-20230381142-A1 ANTILEISHMANIAL COMPOUNDS, COMPOSITIONS AND USE THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2023-11-30 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-4267570-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS Galecto Biotech AB (DK) 2023-11-01 EP claimed
EP-4267568-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
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
US-5246958-A Thiocarbamoylacetonitriles MITSUBISHI KASEI CORPORATION (JP) 1993-09-21 US 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

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-20230381142-A1 ANTILEISHMANIAL COMPOUNDS, COMPOSITIONS AND USE THEREOF MPO, SSB, SGMS2 NISCH 282/4885MTOR 1609/4885ADK 2181/4885
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.