SCHEMBL1145685

SCHEMBL1145685

[CH2]SC(C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TAAR1 Q96RJ0 4/20 0.41
CYP2D6 P10635 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
LMNA P02545 1/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.38
DPP4 P27487 2/20 0.38
TSHR P16473 2/20 0.38
F2 P00734 1/20 0.38
HRH1 P35367 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
SLC6A4 P31645 1/20 0.37
CYP2C19 P33261 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL775627 0.78 KMT2A (0.45) KMT2AL3MBTL1TAAR1CYP2D6ADRA2A
SCHEMBL577805 0.78 ALDH1A1 (0.46) KMT2AL3MBTL1TAAR1CYP2D6ADRA2A
SCHEMBL1145689 0.76 KMT2A (0.44) KMT2AL3MBTL1TAAR1CYP2D6ADRA2A
SCHEMBL20809867 0.76 KMT2A (0.44) KMT2AL3MBTL1TAAR1CYP2D6ADRA2A
SCHEMBL14535430 0.76 KMT2A (0.44) KMT2AL3MBTL1TAAR1CYP2D6ADRA2A
SCHEMBL1145643 0.75 ADRB2 (0.50) LMNAHIF1ATSHRSLC6A4SLC6A3
SCHEMBL24302355 0.74 ADRA2C (0.44) KMT2AL3MBTL1TAAR1CYP2D6ADRA2A
SCHEMBL12426572 0.74 KMT2A (0.42) KMT2AL3MBTL1TAAR1CYP2D6ADRA2A
SCHEMBL22115704 0.74 TAAR1 (0.46) KMT2AL3MBTL1TAAR1CYP2D6ADRA2A
SCHEMBL10297589 0.74 ALDH1A1 (0.43) KMT2AL3MBTL1TAAR1CYP2D6ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888374-B2 Inhibitors of c-jun N-terminal kinases ABBOTT LABORATORIES (US) 2011-02-15 US disclosed
WO-2006083673-A2 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF C-JUN N-TERMINAL KINASES ABBOTT LABORATORIES (US) 2006-08-10 WO disclosed
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases ABBVIE INC. 2006-08-03 US disclosed
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists XIN ZHILI (US) 2005-08-04 US disclosed
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists KOSOGOF CHRISTI (US) 2005-08-04 US disclosed
WO-2005030734-A1 DIAMINOPYRIMIDINE DERIVATIVES AS SELECTIVE GROWTH HORMONE SECRECTGOGUE RECEPTOR (GHS-R) ANTAGONISTS ABBOTT LABORATORIES (US) 2005-04-07 WO disclosed
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators ABBOTT LABORATORIES 2005-03-31 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 (4 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-20060173050-A1 Inhibitors of c-Jun N-terminal kinases MAPKAPK3, MAP3K3, MAPK3 KMT2A 3210/4885L3MBTL1 1511/4885TAAR1 4002/4885
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 KMT2A 950/4885L3MBTL1 4050/4885TAAR1 343/4885
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 KMT2A 1065/4885L3MBTL1 4194/4885TAAR1 360/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR KMT2A 2596/4885L3MBTL1 4387/4885TAAR1 244/4885

“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.