SCHEMBL4833242

SCHEMBL4833242

NC(=S)CCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
LOXL2 Q9Y4K0 1/20 0.53
IDO1 P14902 4/20 0.51
KCNJ1 P48048 1/20 0.49
KCNH2 Q12809 1/20 0.49
ALDH1A1 P00352 5/20 0.47
CYP2C19 P33261 2/20 0.47
HRH3 Q9Y5N1 1/20 0.46
MEN1 O00255 4/20 0.46
MAPT P10636 4/20 0.46
KMT2A Q03164 4/20 0.46
HTT P42858 3/20 0.46
TP53 P04637 2/20 0.46
MAPK1 P28482 2/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSP90AA1 P07900 1/20 0.46
XBP1 P17861 1/20 0.46
ALOX12 P18054 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL530075 0.84 TSHR (0.61) TSHRLOXL2IDO1KCNJ1KCNH2
SCHEMBL8451427 0.84 TSHR (0.61) TSHRLOXL2IDO1KCNJ1KCNH2
SCHEMBL1829314 0.81 LOXL2 (0.57) TSHRLOXL2IDO1ALDH1A1CYP2C19
SCHEMBL15074911 0.80 TSHR (0.61) TSHRLOXL2KCNJ1KCNH2ALDH1A1
SCHEMBL7999122 0.79 TSHR (0.66) TSHRLOXL2IDO1KCNJ1KCNH2
SCHEMBL11432953 0.79 TSHR (0.56) TSHRLOXL2KCNJ1KCNH2ALDH1A1
SCHEMBL8898093 0.79 TSHR (0.59) TSHRLOXL2KCNJ1KCNH2ALDH1A1
SCHEMBL2850348 0.79 TSHR (0.59) TSHRLOXL2IDO1KCNJ1KCNH2
SCHEMBL3292782 0.78 TSHR (0.75) TSHRLOXL2IDO1KCNJ1KCNH2
SCHEMBL10507113 0.78 TSHR (0.63) TSHRLOXL2IDO1KCNJ1KCNH2

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-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 US disclosed
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 WO 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 (2 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-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 TSHR 1173/4885LOXL2 1834/4885IDO1 2196/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 TSHR 1173/4885LOXL2 1834/4885IDO1 2196/4885

“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.