SCHEMBL10102677

SCHEMBL10102677

CN(C)CCNCCCc1cc2cc(C(C)(C)C)ccc2nc1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VSIR Q9H7M9 2/20 0.38
PSMB5 P28074 1/20 0.36
SLC2A1 P11166 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACP1 P24666 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TRIM58 Q8NG06 1/20 0.34
TERT O14746 2/20 0.34
AKT1 P31749 1/20 0.34
AKT2 P31751 1/20 0.34
MOK Q9UQ07 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
GFER P55789 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL10102675 0.89 PSMB5 (0.43) PSMB5AKT1AKT2
SCHEMBL10102678 0.85 AKT1 (0.37) PSMB5KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL13005210 0.81 AKT1 (0.39) PSMB5KDM4EALDH1A1KMT2AAKT1
SCHEMBL13005203 0.73 AKT1 (0.36) PSMB5KDM4EALDH1A1AKT1AKT2
SCHEMBL10102668 0.71 PSMB5 (0.44) PSMB5TRIM58TERTNPC1MAPT
SCHEMBL3386183 0.70 PIK3CG (0.40) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL10102655 0.70 PDE4B (0.37) KDM4ESMN1; SMN2MAPT
SCHEMBL3383001 0.69 DHODH (0.45) KDM4EKMT2A
SCHEMBL10102667 0.68 PSMB5 (0.43) PSMB5KDM4EALDH1A1MEN1KMT2A
SCHEMBL10102637 0.68 ALDH1A1 (0.37) KDM4EALDH1A1MEN1KMT2AMAPT

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 VSIR 4173/4885PSMB5 228/4885SLC2A1 4719/4885

“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.