SCHEMBL10102655

SCHEMBL10102655

CC(C)(C)c1ccc2nc(-c3cccc(Cl)c3)c(CCCO)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.37
ADORA1 P30542 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TRPV1 Q8NER1 4/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HSD17B10 Q99714 1/20 0.34
BACE1 P56817 1/20 0.34
TGFBR1 P36897 1/20 0.34
TGFBR2 P37173 1/20 0.34
TRPA1 O75762 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LTB4R Q15722 1/20 0.34
PGK1 P00558 1/20 0.33

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
SCHEMBL3386183 0.88 PIK3CG (0.40) MAPTSMN1; SMN2
SCHEMBL13005210 0.87 AKT1 (0.39) HSD17B10KDM4E
SCHEMBL10102645 0.84 CNR2 (0.38) ADORA1SMN1; SMN2CYP1A2HSD17B10TRPA1
SCHEMBL10102650 0.82 LMNA (0.40) MAPT
SCHEMBL10102638 0.79 GPBAR1 (0.42) BACE1
SCHEMBL13005209 0.78 SCN10A (0.34) TP53MAPT
SCHEMBL10102653 0.78 CTSK (0.40) SMN1; SMN2TRPV1CYP1A2CYP2C9BACE1
SCHEMBL10102633 0.76 RPS6KB2 (0.40) ADORA1TP53MAPTSMN1; SMN2KDM4E
SCHEMBL3383001 0.75 DHODH (0.45) KDM4E
SCHEMBL10107980 0.75 SCN10A (0.35) TP53SMN1; SMN2

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 PDE4B 3489/4885ADORA1 4757/4885TP53 318/4885

“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.