SCHEMBL161516

SCHEMBL161516

O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(Cl)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ1A Q9NRL2 1/20 0.71
MTOR P42345 1/20 0.71
MEN1 O00255 8/20 0.70
KMT2A Q03164 8/20 0.70
MAPT P10636 6/20 0.70
HTT P42858 3/20 0.70
LMNA P02545 3/20 0.70
ALDH1A1 P00352 1/20 0.70
RAB9A P51151 5/20 0.69
NPC1 O15118 3/20 0.69
EPHX2 P34913 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.62
GRIK1 P39086 1/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
TP53 P04637 1/20 0.61
TSHR P16473 1/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
NOX1 Q9Y5S8 1/20 0.61

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
SCHEMBL14459434 0.89 KMT2A (0.74) MEN1KMT2AMAPTHTTLMNA
SCHEMBL17664322 0.88 MEN1 (0.70) BAZ1AMEN1KMT2AMAPTHTT
SCHEMBL8067637 0.85 MEN1 (0.57) BAZ1AMTORMEN1KMT2AMAPT
SCHEMBL8067638 0.85 MEN1 (0.57) BAZ1AMTORMEN1KMT2AMAPT
SCHEMBL14601707 0.85 KMT2A (0.77) BAZ1AMTORMEN1KMT2AMAPT
SCHEMBL4922162 0.84 EPHX2 (0.81) BAZ1AMTORMEN1KMT2AMAPT
SCHEMBL11049956 0.84 MEN1 (0.85) MEN1KMT2AMAPTHTTLMNA
SCHEMBL2682054 0.83 KMT2A (1.00) MEN1KMT2AMAPTHTTLMNA
SCHEMBL255088 0.83 MTOR (1.00) BAZ1AMTORMEN1KMT2AMAPT
SCHEMBL3946302 0.83 BAZ1A (1.00) BAZ1AMTORMEN1KMT2AMAPT

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
US-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
US-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US disclosed
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 WO disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 WO disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 US disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 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-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 BAZ1A 3690/4885MTOR 1125/4885MEN1 4776/4885
US-20110178077-A1 Anti-infective compounds RABGGTB, ELANE, SERPINB1 BAZ1A 1438/4885MTOR 1060/4885MEN1 3685/4885

“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.