SCHEMBL3387112

SCHEMBL3387112

CCc1ccc2nc(-c3ccccc3)c(CCO)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 2/20 0.46
PDE10A Q9Y233 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
GRM1 Q13255 1/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 4/20 0.39
PTGFR P43088 1/20 0.38
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
DHODH Q02127 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
GAA P10253 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
PTK2B Q14289 1/20 0.36

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 0.92 PSMB5 (0.47) PSMB5PDE10AMEN1KMT2AMAPT
SCHEMBL3386971 0.83 KDM4E (0.54) PSMB5PDE10AMEN1KMT2AMAPT
SCHEMBL10102668 0.83 PSMB5 (0.44) PSMB5PDE10AMAPTNPC1
SCHEMBL10102667 0.82 PSMB5 (0.43) PSMB5PDE10AMEN1KMT2AMAPT
SCHEMBL4915121 0.81 PDE10A (0.53) PSMB5PDE10AMEN1KMT2AMAPT
SCHEMBL10107721 0.80 PSMB5 (0.39) PSMB5PDE10AMEN1KMT2AMAPT
SCHEMBL10102671 0.77 DHODH (0.46) KDM4EDHODH
SCHEMBL3387117 0.74 ATM (0.39) MEN1KMT2AMAPTCYP1A2ALDH1A1
SCHEMBL10102628 0.74 DHODH (0.46) PSMB5PDE10AKMT2AALDH1A1HPGD
SCHEMBL10102635 0.73 PSMB5 (0.39) PSMB5PDE10AKMT2AMAPTALDH1A1

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 9 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
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
US-20080200451-A1 Tetrahydroquinolines for Use as Modulators of the Mitotic Motor Protein Eg5 MERCK PATENT GMBH (DE) 2008-08-21 US disclosed
EP-1891011-A1 TETRAHYDROQUINOLINES USED IN THE FORM OF MODULATORS OF MITOTIC MOTOR-PROTEINS EG5 Merck Patent GmbH (DE) 2008-02-27 EP disclosed
WO-2006133821-A1 TETRAHYDROQUINOLINES USED IN THE FORM OF MODULATORS OF MITOTIC MOTOR-PROTEINS EG5 MERCK PATENT GMBH (DE) 2006-12-21 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-20080200451-A1 Tetrahydroquinolines for Use as Modulators of the Mitotic Motor Protein Eg5 KIF5A, KIF5C, KIF5B PSMB5 228/4885PDE10A 4376/4885MEN1 807/4885

“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.