SCHEMBL10102635

SCHEMBL10102635

CC(C)c1ccc2nc(-c3ccccc3)c(CCCO)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 3/20 0.39
PDE10A Q9Y233 2/20 0.38
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 6/20 0.38
HPGD P15428 5/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
DHODH Q02127 1/20 0.38
PTGFR P43088 1/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
RAB9A P51151 2/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34

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
SCHEMBL10102670 0.81 PSMB5 (0.47) PSMB5PDE10AKDM4EALDH1A1HPGD
SCHEMBL10102628 0.81 DHODH (0.46) PSMB5PDE10AKDM4EALDH1A1HPGD
SCHEMBL13005210 0.80 AKT1 (0.39) PSMB5PDE10AKDM4EALDH1A1HPGD
SCHEMBL25900721 0.78 PSMB5 (0.60) PSMB5PDE10AKDM4EALDH1A1HPGD
SCHEMBL10102630 0.78 KMT2A (0.38) PSMB5PDE10AKDM4EALDH1A1HPGD
SCHEMBL3383001 0.78 DHODH (0.45) KDM4EKMT2AATMDHODH
SCHEMBL3386971 0.75 KDM4E (0.54) PSMB5PDE10AKDM4EALDH1A1HPGD
SCHEMBL10102632 0.75 DHFR (0.41) PDE10AKMT2AATMDHODHPTGFR
SCHEMBL3387112 0.73 PSMB5 (0.46) PSMB5PDE10AKDM4EALDH1A1HPGD
SCHEMBL4915121 0.72 PDE10A (0.53) PSMB5PDE10AKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207345-B2 Antitumor agents; use in combination with other drugs such as pentamidine MERCK PATENT GMBH (DE) 2012-06-26 US disclosed
US-8207345-B2 Antitumor agents; use in combination with other drugs such as pentamidine MERCK PATENT GMBH (DE) 2012-06-26 US disclosed
EP-1891011-B1 TETRAHYDROQUINOLINES USED IN THE FORM OF MODULATORS OF MITOTIC MOTOR-PROTEINS EG5 MERCK PATENT GMBH (DE) 2010-12-08 EP disclosed
US-20080200451-A1 Tetrahydroquinolines for Use as Modulators of the Mitotic Motor Protein Eg5 MERCK PATENT GMBH (DE) 2008-08-21 US disclosed
US-20080200451-A1 Tetrahydroquinolines for Use as Modulators of the Mitotic Motor Protein Eg5 MERCK PATENT GMBH (DE) 2008-08-21 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 (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-20080200451-A1 Tetrahydroquinolines for Use as Modulators of the Mitotic Motor Protein Eg5 KIF5A, KIF5C, KIF5B PSMB5 228/4885PDE10A 4376/4885KDM4E 2071/4885

“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.