SCHEMBL1145244

SCHEMBL1145244

[CH2]SCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
ALDH1A1 P00352 3/20 0.53
MAPT P10636 2/20 0.53
POLB P06746 2/20 0.53
LOXL2 Q9Y4K0 1/20 0.52
KCNJ1 P48048 3/20 0.51
KCNH2 Q12809 2/20 0.51
HRH3 Q9Y5N1 1/20 0.49
CYP1A2 P05177 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP2C9 P11712 1/20 0.47
IDO1 P14902 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
CACNA1C Q13936 1/20 0.47
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL3292782 0.81 TSHR (0.75) TSHRALDH1A1POLBLOXL2KCNJ1
SCHEMBL12263877 0.81 TSHR (0.58) TSHRALDH1A1MAPTPOLBLOXL2
SCHEMBL5805820 0.81 TSHR (0.58) TSHRALDH1A1MAPTPOLBLOXL2
SCHEMBL513720 0.80 CYP2C19 (0.59) TSHRALDH1A1MAPTPOLBLOXL2
SCHEMBL13946243 0.78 CYP1A2 (0.67) TSHRALDH1A1MAPTLOXL2KCNJ1
SCHEMBL839828 0.78 TSHR (0.64) TSHRALDH1A1POLBLOXL2KCNJ1
SCHEMBL10628387 0.78 TSHR (0.50) TSHRALDH1A1MAPTPOLBLOXL2
SCHEMBL12263876 0.78 TSHR (0.54) TSHRALDH1A1MAPTPOLBLOXL2
SCHEMBL18913824 0.77 TSHR (0.69) TSHRALDH1A1POLBLOXL2KCNJ1
SCHEMBL30758863 0.77 TSHR (0.69) TSHRALDH1A1POLBLOXL2KCNJ1

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 TSHR 4439/4885ALDH1A1 4339/4885MAPT 1136/4885
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 TSHR 348/4885ALDH1A1 2435/4885MAPT 4601/4885
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 TSHR 267/4885ALDH1A1 3084/4885MAPT 4628/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR TSHR 161/4885ALDH1A1 2333/4885MAPT 4420/4885

“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.