SCHEMBL528668

SCHEMBL528668

CC(=O)Nc1ccc(Nc2c(C(=O)Nc3ccc(Cl)cc3)cnc3ccccc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
LMNA P02545 2/20 0.58
KDM4E B2RXH2 2/20 0.58
MAPT P10636 2/20 0.58
KDM1A O60341 1/20 0.58
MITF O75030 1/20 0.58
POLB P06746 1/20 0.58
RAD52 P43351 1/20 0.58
RECQL P46063 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CSF1R P07333 2/20 0.54
NUDT1 P36639 1/20 0.53
MEN1 O00255 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 1/20 0.46
AHR P35869 1/20 0.45

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
SCHEMBL529779 0.94 NUDT1 (0.56) KMT2ALMNAKDM4EMAPTKDM1A
SCHEMBL15197252 0.91 CYP3A4 (0.55) KMT2ALMNAKDM1ACSF1RNUDT1
SCHEMBL7307143 0.83 NUDT1 (0.49) KMT2ALMNAMAPTNUDT1MEN1
SCHEMBL7314351 0.80 NR3C1 (0.60) LMNACYP1A2CYP2C9CYP2C19AHR
Acetic Acid SCHEMBL11081190 0.80 CYP1A2 (0.54) KMT2ALMNAMAPTSMN1; SMN2L3MBTL1
SCHEMBL15190788 0.80 MAPT (0.54) MAPTCSF1RALDH1A1
SCHEMBL7311449 0.79 CYP1A2 (0.55) KMT2ALMNAKDM4EMAPTMEN1
SCHEMBL17450237 0.79 MEN1 (0.49) KMT2ALMNANUDT1MEN1CYP1A2
SCHEMBL529953 0.79 MAPT (0.67) KMT2ALMNAKDM4EMAPTKDM1A
SCHEMBL11081196 0.78 POLB (0.52) KMT2ALMNAPOLBMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2597955-B1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE INC (JP) 2016-01-20 EP disclosed
US-9120749-B2 Quinoline derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-09-01 US disclosed
US-9120749-B2 Quinoline derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-09-01 US disclosed
US-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-08-22 US disclosed
US-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-08-22 US disclosed
CN-103153063-A Quinoline derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE INC 2013-06-12 CN disclosed
EP-2597955-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-06-05 EP disclosed
WO-2012016082-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2012-02-02 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 (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-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME MELK, NADK, NEK1 KMT2A 551/4885LMNA 2106/4885KDM4E 1041/4885

“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.