SCHEMBL529635

SCHEMBL529635

CCN1CCCC1N(C)c1c(C(=O)Nc2ccc(Cl)cc2)cnc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 11/20 0.46
MAPT P10636 2/20 0.42
NR4A1 P22736 1/20 0.42
ESR2 Q92731 1/20 0.42
IDO1 P14902 1/20 0.41
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RCE1 Q9Y256 1/20 0.39

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
SCHEMBL529636 0.80 RAB9A (0.48) NR3C1MAPTLMNAKDM4EALDH1A1
SCHEMBL531242 0.78 NR3C1 (0.42) NR3C1
SCHEMBL7314351 0.71 NR3C1 (0.60) NR3C1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL7311449 0.70 CYP1A2 (0.55) NR3C1MAPTLMNACYP1A2CYP2C9
Acetic Acid SCHEMBL11081190 0.68 CYP1A2 (0.54) NR3C1MAPTLMNACYP1A2CYP2C9
SCHEMBL529779 0.68 NUDT1 (0.56) NR3C1MAPTLMNACYP1A2CYP2C9
SCHEMBL17450237 0.68 MEN1 (0.49) NR3C1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL530058 0.67 KMT2A (0.50) NR3C1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL7307143 0.67 NUDT1 (0.49) NR3C1MAPTLMNACYP1A2CYP2C9
SCHEMBL11081196 0.67 POLB (0.52) NR3C1LMNACYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 NR3C1 4398/4885MAPT 2791/4885NR4A1 2710/4885

“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.