SCHEMBL2086754

SCHEMBL2086754

COc1[c]cccc1-c1ccccc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.36
NPC1 O15118 5/20 0.36
KCNN4 O15554 1/20 0.35
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
TP53 P04637 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
ERN1 O75460 1/20 0.34
HTR7 P34969 1/20 0.34
F2RL3 Q96RI0 1/20 0.33
NFE2L2 Q16236 1/20 0.33
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 4/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAP2K7 O14733 1/20 0.32
GMNN O75496 1/20 0.32

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
SCHEMBL3645412 0.86 CTSA (0.33) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL15637317 0.84 RPS6KA2 (0.35) F2RL3
SCHEMBL17514930 0.83 MAPK14 (0.37) RAB9ANPC1F2RL3ALDH1A1HPGD
SCHEMBL17514753 0.83 OXTR (0.34)
SCHEMBL17514527 0.83 PTPN1 (0.36) RAB9ANPC1MAPTNFE2L2TUBB4A
SCHEMBL160523 0.82
SCHEMBL17514992 0.82 HSD11B1 (0.35) GAALMNA
SCHEMBL17514487 0.80 HSD11B1 (0.36) GAALMNA
SCHEMBL10535184 0.79 APP (0.46) RAB9AMAPTSMN1; SMN2TP53HTR7
SCHEMBL3904464 0.79 HTT (0.36) RAB9ANPC1MAPTSMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110903262-A Oxadiazole substituted benzene sulfonamide compound, preparation method thereof and application of oxadiazole substituted benzene sulfonamide compound as carbonic anhydrase inhibitor 中国人民解放军军事科学院军事医学研究院 2020-03-24 CN claimed
CN-110903262-A Oxadiazole substituted benzene sulfonamide compound, preparation method thereof and application of oxadiazole substituted benzene sulfonamide compound as carbonic anhydrase inhibitor 中国人民解放军军事科学院军事医学研究院 2020-03-24 CN disclosed
WO-2016026830-A1 NOVEL FUNGICIDAL PYRAZOLE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-02-25 WO disclosed
US-20110178075-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2011-07-21 US disclosed
US-7902217-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2011-03-08 US disclosed
EP-1742944-B1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARM CORP (US) 2010-11-10 EP disclosed
US-20090118232-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2009-05-07 US disclosed
US-7488737-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICAL CORPORATION (US) 2009-02-10 US disclosed
EP-1742944-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2007-01-17 EP disclosed
WO-2006001894-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICAL CORPORATION (US) 2006-01-05 WO disclosed
US-20050250808-A1 Indoles, 1h-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICAL CORPORATION 2005-11-10 US disclosed
EP-1028945-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS Amgen Inc. (US) 2000-08-23 EP disclosed
WO-1999024404-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC. (US) 1999-05-20 WO disclosed
EP-0091193-A2 Antidiabetic compositions PFIZER INC. (US) 1983-10-12 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-20110178075-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA2 RAB9A 2787/4885NPC1 622/4885KCNN4 974/4885
US-20050250808-A1 Indoles, 1h-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA2 RAB9A 2787/4885NPC1 622/4885KCNN4 974/4885
US-20090118232-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA2 RAB9A 2787/4885NPC1 622/4885KCNN4 974/4885

“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.