SCHEMBL8878334

SCHEMBL8878334

CCC(=O)c1cc(-c2ccccc2)no1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.65
▸ RAB9A P51151 3/20 0.65
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ NOTUM Q6P988 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ ADORA2A P29274 1/20 0.49
▸ ADORA2B P29275 1/20 0.49
▸ ADORA1 P30542 1/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ MAPT P10636 3/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ PTPN1 P18031 2/20 0.47
▸ PPARG P37231 2/20 0.46
▸ PPARA Q07869 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46

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
SCHEMBL8785350 0.89 SMN1; SMN2 (0.60) SMN1; SMN2RAB9AMEN1KMT2AALDH1A1
SCHEMBL1435521 0.85 RAB9A (0.59) SMN1; SMN2RAB9AMEN1KMT2AALDH1A1
SCHEMBL27339512 0.85 RAB9A (0.59) SMN1; SMN2RAB9AMEN1KMT2AALDH1A1
SCHEMBL8879495 0.84 SMN1; SMN2 (0.58) SMN1; SMN2RAB9AMEN1KMT2AALDH1A1
SCHEMBL8880129 0.84 SMN1; SMN2 (0.58) SMN1; SMN2RAB9AMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL9373000 0.84 RAB9A (0.57) SMN1; SMN2RAB9AMEN1KMT2AALDH1A1
SCHEMBL8975518 0.83 SMN1; SMN2 (0.57) SMN1; SMN2RAB9AMEN1KMT2AALDH1A1
SCHEMBL4805 0.83 RAB9A (0.69) SMN1; SMN2RAB9AMEN1KMT2AALDH1A1
SCHEMBL212382 0.82 RAB9A (0.68) SMN1; SMN2RAB9AMEN1KMT2AALDH1A1
SCHEMBL28091339 0.82 RAB9A (0.68) SMN1; SMN2RAB9AMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7010851-A — — None — — JP disclosed
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 — — US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 — — US disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 — — US disclosed
EP-1553949-B1 PYRIMIDINE-2,4-DIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2007-04-18 — — EP disclosed
US-7160893-B2 Pyrimidine-2,4-dione derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-01-09 — — US disclosed
US-7160893-B2 Pyrimidine-2,4-dione derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-01-09 — — US disclosed
US-5602160-A MUSCLE RELAXANT MITSUI TOATSU CHEMICALS INCORPORATED (JP) 1997-02-11 — — US disclosed
CN-1032001-C Process for preparing aminoketones MITSUI TOATSU CHEMICALS (JP) 1996-06-12 — — CN disclosed
US-5498619-A MUSCLE RELAXANTS, POLLAKIUREA CURING AGENTS AND MUSCLE SPASMS MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1996-03-12 — — US disclosed
CN-1113488-A Preparation process of aminoketones MITSUI TOATSU CHEMICALS (JP) 1995-12-20 — — CN disclosed
EP-0414391-B1 Aminoketone derivatives and use thereof MITSUI TOATSU CHEMICALS (JP) 1995-03-15 — — EP disclosed
JP-H0710851-A AMINOALCOHOL DERIVATIVE AND ITS USE MITSUI TOATSU CHEM INC 1995-01-13 — — JP disclosed
US-5338857-A Muscle relaxant MITSUI TOATSU CHEMICALS INCORPORATED (JP) 1994-08-16 — — US disclosed
US-5194606-A Reaction of amine with formaldehyde and ketone MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1993-03-16 — — US disclosed
US-5055585-A Muscle relaxant MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-10-08 — — US disclosed
CN-1054596-A Process for preparing aminoketones MITSUI TOATSU CHEMICALS (JP) 1991-09-18 — — CN disclosed
EP-0441621-A2 Preparation process of aminoketones MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-08-14 — — EP disclosed
EP-0414391-A2 Aminoketone derivatives and use thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-02-27 — — 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 (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-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 SMN1; SMN2 975/4885RAB9A 2010/4885MEN1 3689/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 SMN1; SMN2 975/4885RAB9A 2010/4885MEN1 3689/4885

“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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