SCHEMBL4042996

SCHEMBL4042996

Sc1cccc2c1[CH]c1ccccc1-2

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
IDO1 P14902 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
BCHE P06276 1/20 0.31
POLB P06746 1/20 0.31
PTPRC P08575 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
PTPN1 P18031 1/20 0.31
ACHE P22303 1/20 0.31
CES1 P23141 1/20 0.31
RECQL P46063 1/20 0.31
PTPN22 Q9Y2R2 1/20 0.31

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
SCHEMBL3192100 0.74 ALDH1A1 (0.48) MEN1KMT2AIDO1ALDH1A1HSD17B10
SCHEMBL28893697 0.73 ADORA2A (0.33) MEN1KMT2AIDO1ALDH1A1HSD17B10
SCHEMBL9462900 0.73 CYP2A6 (0.39) MEN1KMT2AIDO1ALDH1A1HSD17B10
SCHEMBL9064845 0.73 KDM4E (0.31) MEN1KMT2AIDO1ALDH1A1HSD17B10
SCHEMBL18243665 0.73 KDM4E (0.31) MEN1KMT2AIDO1ALDH1A1HSD17B10
SCHEMBL246576 0.73 ALDH1A1 (0.39) MEN1KMT2AIDO1ALDH1A1HSD17B10
SCHEMBL216981 0.73 ACHE (0.39) ALDH1A1LMNAACHE
SCHEMBL28964468 0.73 KDM4E (0.31) MEN1KMT2AIDO1ALDH1A1HSD17B10
SCHEMBL216861 0.73 ALDH1A1 (0.44) ALDH1A1HSD17B10HPGD
SCHEMBL28343841 0.73 KDM4E (0.31) MEN1KMT2AIDO1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1438288-B1 SUBSTITUTED THIOACETAMIDES CEPHALON INC (US) 2009-04-29 EP disclosed
US-20080027228-A1 Substituted thioacetamides CEPHALON, INC. (US) 2008-01-31 US disclosed
US-7268132-B2 Thio substituted with a hetero multiring group; sleepiness, promotion of wakefulness, Parkinson's disease, cerebral ischemia, stroke, sleep apneas, eating disorders, stimulation of appetite and weight gain, attention deficit hyperactivity disorder CEPHALON, INC. (US) 2007-09-11 US disclosed
US-20050192313-A1 Substituted thioacetamides CEPHALON, INC. (US) 2005-09-01 US disclosed
US-6919367-B2 Substituted thioacetamides CEPHALON, INC. (US) 2005-07-19 US disclosed
EP-1438288-A1 SUBSTITUTED THIOACETAMIDES CEPHALON, INC. (US) 2004-07-21 EP disclosed
US-20040116445-A1 Substituted thioacetamides CEPHALON INC. 2004-06-17 US disclosed
US-6670358-B2 Substituted thioacetamides CEPHALON, INC. 2003-12-30 US disclosed
WO-2003037853-A1 SUBSTITUTED THIOACETAMIDES CEPHALON, INC. (US) 2003-05-08 WO disclosed
US-20020183334-A1 Substituted thioacetamides CEPHALON, INC. 2002-12-05 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 (3 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-20080027228-A1 Substituted thioacetamides TST, TTR, TBCA MEN1 3755/4885KMT2A 1970/4885IDO1 1868/4885
US-20020183334-A1 Substituted thioacetamides TST, TTR, TBCA MEN1 3755/4885KMT2A 1970/4885IDO1 1868/4885
US-20050192313-A1 Substituted thioacetamides TST, TTR, TBCA MEN1 3755/4885KMT2A 1970/4885IDO1 1868/4885

“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.