SCHEMBL530633

SCHEMBL530633

O=C(c1ccccc1)C(O)CCc1cnc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.49
CFTR P13569 1/20 0.46
KDR P35968 1/20 0.46
RAB9A P51151 2/20 0.44
DHODH Q02127 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
TRPM8 Q7Z2W7 2/20 0.41
GABRA1 P14867 1/20 0.41
FAAH O00519 4/20 0.41
MAP4K4 O95819 1/20 0.41

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
SCHEMBL28221183 0.76 MDM2 (0.53) RAB9ANPC1LMNASMN1; SMN2DPP4
SCHEMBL2846347 0.76 MGAM (0.54) MGAMCFTRKDRRAB9ADHODH
Hydrochloric Acid SCHEMBL28744345 0.75 MGAM (0.44) MGAMCFTRKDRRAB9ADHODH
SCHEMBL12505006 0.75 MGAM (0.57) MGAMCFTRKDRRAB9AHDAC3
Hydrochloric Acid SCHEMBL3867467 0.75 MGAM (0.53) MGAMCFTRKDRRAB9ADHODH
SCHEMBL3396692 0.74 CYP1A2 (0.55) MGAMCFTRRAB9ADHODHHDAC3
SCHEMBL27529636 0.74 HDAC3 (0.45) MGAMCFTRKDRRAB9ADHODH
SCHEMBL5199025 0.73 CYP1A2 (0.60) MGAMCFTRRAB9ADHODHHDAC3
SCHEMBL28532450 0.73 PDGFRB (0.53) MGAMCFTRRAB9ADHODHHDAC3
SCHEMBL28130715 0.72 MGAM (0.50) MGAMCFTRKDRRAB9ADHODH

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 MGAM 3330/4885CFTR 4133/4885KDR 3951/4885

“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.