SCHEMBL764726

SCHEMBL764726

CNC(C)c1ccc2c(c1)OCCO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.56
▸ PTGS2 P35354 1/20 0.56
▸ HTT P42858 2/20 0.55
▸ KDM1A O60341 3/20 0.54
▸ MAOA P21397 2/20 0.54
▸ MAOB P27338 2/20 0.54
▸ AOC3 Q16853 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ HPGD P15428 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ SLC6A2 P23975 2/20 0.44
▸ SLC6A4 P31645 2/20 0.44
▸ SLC6A3 Q01959 2/20 0.44
▸ KCNH2 Q12809 2/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL14004085 0.89 HPGD (0.55) ALDH1A1HPGDLMNACYP3A4CYP2D6
SCHEMBL16133046 0.81 PTGS1 (0.51) PTGS1PTGS2HTTKDM1AMAOA
SCHEMBL71414 0.80 PTGS1 (0.62) PTGS1PTGS2HTTKDM1AMAOA
SCHEMBL17753763 0.80 PTGS1 (0.54) PTGS1PTGS2HTTKDM1AMAOA
SCHEMBL19658728 0.78 HTT (0.67) PTGS1PTGS2HTTALDH1A1HPGD
SCHEMBL25066870 0.77 PTGS1 (0.59) PTGS1PTGS2HTTKDM1AMAOA
SCHEMBL17541625 0.77 PTGS1 (0.59) PTGS1PTGS2HTTKDM1AMAOA
SCHEMBL17541509 0.77 PTGS1 (0.64) PTGS1PTGS2HTTKDM1AMAOA
SCHEMBL20559648 0.77 PTGS1 (0.59) PTGS1PTGS2HTTKDM1AMAOA
SCHEMBL1744600 0.77 PTGS1 (0.59) PTGS1PTGS2HTTKDM1AMAOA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022033303-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 中国人民解放军军事科学院军事医学研究院 2022-02-17 — — WO disclosed
WO-2017155910-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2017-09-14 — — WO disclosed
US-9260454-B2 Isothiazolopyridine-2-carboxamides and their use as pharmaceuticals SANOFI (FR) 2016-02-16 — — US disclosed
US-8883824-B2 3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmaceutically acceptable salt thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-11 — — US disclosed
US-20140296169-A1 ISOTHIAZOLOPYRIDINE-2-CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-10-02 — — US disclosed
EP-2431362-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-03-21 — — EP disclosed
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-03-08 — — US disclosed
WO-2010131669-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 大日本住友製薬株式会社 (JP) 2010-11-18 — — WO disclosed
WO-2009098282-A1 LOW MOLECULAR WEIGHT 2,5-DISUBSTITUTED THIOPHENE DERIVATIVES AND USE THEREOF IN THERAPY NOVASAID AB (SE) 2009-08-13 — — 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 (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-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACSL3, SLCO4C1, SLC38A7 PTGS1 3609/4885PTGS2 3721/4885HTT 3325/4885
US-20140296169-A1 ISOTHIAZOLOPYRIDINE-2-CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS TGM2, TGM1, TGM6 PTGS1 72/4885PTGS2 32/4885HTT 1235/4885

“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.

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