SCHEMBL10107980

SCHEMBL10107980

Cc1ccc(-c2nc3ccc(C(C)(C)C)cc3cc2CCCO)s1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 3/20 0.35
KCNH2 Q12809 1/20 0.33
NAMPT P43490 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
RXFP1 Q9HBX9 2/20 0.31
NPC1 O15118 1/20 0.31
RPS6KB2 Q9UBS0 2/20 0.31
PRNP P04156 1/20 0.30
TP53 P04637 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL13005209 0.89 SCN10A (0.34) SCN10AKCNH2NAMPTTP53
SCHEMBL10102643 0.89 SCN10A (0.34) SCN10AKCNH2MEN1KMT2ARXFP1
SCHEMBL10102633 0.83 RPS6KB2 (0.40) SCN10AMEN1KMT2ARPS6KB2TP53
SCHEMBL13005210 0.80 AKT1 (0.39) SCN10AKMT2A
SCHEMBL10102638 0.78 GPBAR1 (0.42) SCN10AKCNH2
SCHEMBL10107978 0.76 SCN10A (0.33) SCN10AKCNH2
SCHEMBL3386183 0.76 PIK3CG (0.40) SCN10ANPC1SMN1; SMN2
SCHEMBL10102655 0.75 PDE4B (0.37) TP53SMN1; SMN2
SCHEMBL10102645 0.73 CNR2 (0.38) KCNH2NAMPTMEN1KMT2ASMN1; SMN2
SCHEMBL13004730 0.73 ERCC5 (0.35) MEN1KMT2ANPC1

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 3 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
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

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 SCN10A 2031/4885KCNH2 1709/4885NAMPT 4283/4885

“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.