SCHEMBL18286170

SCHEMBL18286170

O=C(Nc1ccc(Cl)cn1)c1cccc(Nc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.58
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PTGS1 P23219 1/20 0.49
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49
TSHR P16473 1/20 0.49
KIT P10721 1/20 0.48
MAPT P10636 1/20 0.47
LMNA P02545 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
SCHEMBL18292521 0.83 RAB9A (0.53) KMT2AMEN1ALDH1A1KDM4ENPC1
SCHEMBL18286208 0.79 AURKA (0.60) AURKAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL13561074 0.76 KMT2A (0.72) KMT2AMEN1ALDH1A1POLBRAB9A
SCHEMBL18286152 0.76 MAPT (0.59) AURKAALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL18292578 0.74 NPC1 (0.61) KMT2AMEN1ALDH1A1HSD17B10NPC1
SCHEMBL7606537 0.74 KMT2A (0.66) KMT2AMEN1ALDH1A1RAB9APTGS1
SCHEMBL5067936 0.72 F10 (0.58) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL22441674 0.72 MEN1 (0.59) AURKAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL22441675 0.72 MEN1 (0.59) AURKAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL25780888 0.72 BTK (0.55) AURKAKMT2AMEN1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10758522-B2 Small molecule analogs of the nemo binding peptide THE SCRIPPS RESEARCH INSTITUTE (US) 2020-09-01 US disclosed
US-10758522-B2 Small molecule analogs of the nemo binding peptide THE SCRIPPS RESEARCH INSTITUTE (US) 2020-09-01 US disclosed
US-20180169078-A1 Small Molecule Analogs of the Nemo Binding Peptide UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2018-06-21 US disclosed
US-20180169078-A1 Small Molecule Analogs of the Nemo Binding Peptide UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2018-06-21 US disclosed
EP-3302468-A1 SMALL MOLECULE ANALOGS OF THE NEMO BINDING PEPTIDE The Scripps Research Institute (US) 2018-04-11 EP disclosed
WO-2016196117-A1 SMALL MOLECULE ANALOGS OF THE NEMO BINDING PEPTIDE THE SCRIPPS RESEARCH INSTITUTE (US) 2016-12-08 WO disclosed
WO-2016196117-A1 SMALL MOLECULE ANALOGS OF THE NEMO BINDING PEPTIDE THE SCRIPPS RESEARCH INSTITUTE (US) 2016-12-08 WO 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-10758522-B2 Small molecule analogs of the nemo binding peptide IKBKG, NFKBIA, NFKB1 AURKA 1864/4885KMT2A 3074/4885MEN1 3018/4885
US-20180169078-A1 Small Molecule Analogs of the Nemo Binding Peptide IKBKG, NFKBIA, NFKB1 AURKA 1864/4885KMT2A 3074/4885MEN1 3018/4885

“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.