SCHEMBL9629628

SCHEMBL9629628

COc1ccc(Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.77
GAA P10253 3/20 0.77
RAB9A P51151 3/20 0.77
NPC1 O15118 3/20 0.77
L3MBTL1 Q9Y468 2/20 0.77
KDM4E B2RXH2 1/20 0.77
THRB P10828 1/20 0.77
MAPK1 P28482 1/20 0.77
RECQL P46063 1/20 0.77
NPSR1 Q6W5P4 1/20 0.77
TDP1 Q9NUW8 1/20 0.77
NR4A1 P22736 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.58
GSK3B P49841 1/20 0.57
PIK3CA P42336 1/20 0.55
PIK3CB P42338 1/20 0.55
PIK3CG P48736 1/20 0.55
ALOX5 P09917 1/20 0.55
ALDH1A1 P00352 3/20 0.55
HTT P42858 1/20 0.55

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
SCHEMBL1459772 0.88 MAPT (1.00) MAPTGAARAB9ANPC1L3MBTL1
SCHEMBL39057 0.88 MAPT (1.00) MAPTGAARAB9ANPC1L3MBTL1
SCHEMBL2226770 0.85
SCHEMBL154527 0.85
SCHEMBL29113884 0.84 MAPT (0.54) MAPTGAARAB9ANPC1L3MBTL1
SCHEMBL4444134 0.83 CA1 (0.65) MAPTGAARAB9ANPC1L3MBTL1
Hydrochloric Acid SCHEMBL11293911 0.83 CA1 (0.65) MAPTGAARAB9ANPC1L3MBTL1
Chloromethane SCHEMBL9703019 0.83 CA1 (0.65) RAB9ANPC1L3MBTL1MAPK1NPSR1
Water SCHEMBL9443323 0.83 CA1 (0.65) MAPTGAARAB9ANPC1L3MBTL1
Iodide SCHEMBL5695908 0.83 CA1 (0.65) MAPTGAARAB9ANPC1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents WILLIAM MARSH RICE UNIVERSITY (US) 2023-09-26 US disclosed
US-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents WILLIAM MARSH RICE UNIVERSITY (US) 2023-09-26 US disclosed
US-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents WILLIAM MARSH RICE UNIVERSITY (US) 2023-09-26 US disclosed
CN-109608493-A A method of preparing alpha-amido phosphate compounds 盐城锦明药业有限公司 2019-04-12 CN disclosed
WO-2018213572-A9 PREPARATION OF SECONDARY AMINES WITH ELECTROPHILIC N-LINCHPIN REAGENTS WILLIAM MARSH RICE UNIVERSITY (US) 2018-12-13 WO disclosed
WO-2018213572-A1 PREPARATION OF SECONDARY AMINES WITH ELECTROPHILIC N-LINCHPIN REAGENTS WILLIAM MARSH RICE UNIVERSITY (US) 2018-11-22 WO disclosed
US-5166350-A Process for the manufacture of fluoran compounds CIBA-GEIGY CORPORATION (US) 1992-11-24 US disclosed
EP-0013144-B1 SUBSTITUTED DIPHENYLAMINE DERIVATIVES, COMPOSITIONS AND HERBICIDAL USES THEREOF, AND PROCESSES FOR THEIR PREPARATION ICI AUSTRALIA LIMITED (AU) 1983-02-23 EP disclosed
EP-0013144-A1 Substituted diphenylamine derivatives, compositions and herbicidal uses thereof, and processes for their preparation ICI AUSTRALIA LIMITED (AU) 1980-07-09 EP disclosed
US-4187310-A ANTIINFLAMMATORY AGENT, ANALGESICS, ENZYME INHIBITORS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-02-05 US disclosed
US-4138490-A Analgesic compositions containing 1,2-dihydro-2-oxoquinol-4-ylpropionic acid derivatives IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-02-06 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 (1 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-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents PNMT, NCL, NPM1 MAPT 1551/4885GAA 3549/4885RAB9A 1447/4885

“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.