SCHEMBL1922317

SCHEMBL1922317

NC(=S)Nc1ccccc1CO

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ ALDH1A1 P00352 7/20 0.50
▸ HPGD P15428 1/20 0.50
▸ KMT2A Q03164 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ GAA P10253 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ TP53 P04637 1/20 0.47
▸ TYR P14679 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ TAS2R38 P59533 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47

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
SCHEMBL4521444 0.85 L3MBTL1 (0.52) L3MBTL1ALDH1A1HPGDKMT2AMEN1
SCHEMBL27691054 0.84 L3MBTL1 (0.55) L3MBTL1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL5527102 0.82 MAPT (0.69) L3MBTL1ALDH1A1KMT2AMEN1GAA
SCHEMBL18561603 0.82 L3MBTL1 (0.44) L3MBTL1ALDH1A1HPGDKMT2AMEN1
SCHEMBL7837046 0.82 ALDH1A1 (0.61) L3MBTL1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL7593748 0.80 L3MBTL1 (0.71) L3MBTL1ALDH1A1HPGDKMT2AMEN1
SCHEMBL7897640 0.80 ALDH1A1 (0.50) ALDH1A1HPGDKDM4ESMN1; SMN2GAA
SCHEMBL31126451 0.79 ALDH1A1 (0.51) L3MBTL1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL11161289 0.79 L3MBTL1 (0.57) L3MBTL1ALDH1A1HPGDKMT2AMEN1
SCHEMBL6920737 0.79 ALDH1A1 (0.51) L3MBTL1ALDH1A1KMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102149697-A 6-substituted benzoxazines as 5-HT-5A receptor antagonists HOFFMANN LA ROCHE 2011-08-10 — — CN claimed
CN-102149698-A 5-substituted benzoxazines HOFFMANN LA ROCHE 2011-08-10 — — CN claimed
EP-2328881-A1 5-SUBSTITUTED BENZOXAZINES F. Hoffmann-La Roche AG (CH) 2011-06-08 — — EP claimed
EP-2328880-A2 6-SUBSTITUTED BENZOXAZINES AS 5-HT-5A RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-06-08 — — EP claimed
WO-2010026110-A2 6-SUBSTITUTED BENZOXAZINES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-11 — — WO claimed
WO-2010026112-A1 5-SUBSTITUTED BENZOXAZINES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-11 — — WO claimed
CN-108369222-B Opioid receptor modulators and uses thereof 明尼苏达大学董事会 2021-06-04 — — CN disclosed
EP-3344997-B1 OPIOID RECEPTOR MODULATORS AND USE THEREOF UNIV MINNESOTA (US) 2020-11-18 — — EP disclosed
EP-3344997-B1 OPIOID RECEPTOR MODULATORS AND USE THEREOF UNIV MINNESOTA (US) 2020-11-18 — — EP disclosed
CN-108369222-A Opioid receptor modulators and uses thereof 明尼苏达大学董事会 2018-08-03 — — CN disclosed
EP-3344997-A1 OPIOID RECEPTOR MODULATORS AND USE THEREOF Regents of the University of Minnesota (US) 2018-07-11 — — EP disclosed
US-9827228-B2 Opioid receptor modulators and use thereof NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2017-11-28 — — US disclosed
US-9827228-B2 Opioid receptor modulators and use thereof NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2017-11-28 — — US disclosed
CN-102149697-A 6-substituted benzoxazines as 5-HT-5A receptor antagonists HOFFMANN LA ROCHE 2011-08-10 — — CN disclosed
EP-2328881-A1 5-SUBSTITUTED BENZOXAZINES F. Hoffmann-La Roche AG (CH) 2011-06-08 — — EP disclosed
EP-2328880-A2 6-SUBSTITUTED BENZOXAZINES AS 5-HT-5A RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-06-08 — — EP disclosed
WO-2010026110-A2 6-SUBSTITUTED BENZOXAZINES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-11 — — WO disclosed
WO-2010026112-A1 5-SUBSTITUTED BENZOXAZINES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-11 — — WO disclosed
US-20100063042-A1 5-SUBSTITUTED BENZOXAZINES HOFFMANN-LA ROCHE, INC. 2010-03-11 — — US disclosed
US-20100063037-A1 6-SUBSTITUTED BENZOXAZINES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-11 — — US 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-20100063042-A1 5-SUBSTITUTED BENZOXAZINES HTR5A, NPY5R, GABRA5 L3MBTL1 3742/4885ALDH1A1 1885/4885HPGD 1530/4885
US-20100063037-A1 6-SUBSTITUTED BENZOXAZINES HTR5A, NPY5R, GABRA5 L3MBTL1 3586/4885ALDH1A1 1883/4885HPGD 1515/4885

“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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