SCHEMBL4485136

SCHEMBL4485136

NCCSc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
MAPT P10636 5/20 0.52
ALDH1A1 P00352 4/20 0.52
TDP1 Q9NUW8 3/20 0.52
LMNA P02545 2/20 0.51
RECQL P46063 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.47
RAB9A P51151 1/20 0.47
HSD17B3 P37058 1/20 0.45
POLB P06746 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL14030546 0.86 KDM4E (0.49) KDM4EMAPTALDH1A1TDP1LMNA
Hydrochloric Acid SCHEMBL17583220 0.84 KDM4E (0.48) KDM4EMAPTALDH1A1TDP1LMNA
SCHEMBL3249905 0.83 ALDH1A1 (0.55) KDM4EMAPTALDH1A1TDP1LMNA
SCHEMBL14234558 0.81 KDM4E (0.50) KDM4EMAPTALDH1A1TDP1LMNA
SCHEMBL1492578 0.79 KDM4E (0.55) KDM4EMAPTALDH1A1TDP1LMNA
SCHEMBL1662856 0.79 KDM4E (0.41) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL3506729 0.78 KDM4E (0.77) KDM4EMAPTALDH1A1TDP1LMNA
SCHEMBL29402979 0.78 KDM4E (0.62) KDM4EMAPTALDH1A1TDP1LMNA
SCHEMBL25358 0.78 KDM4E (0.62) KDM4EMAPTALDH1A1TDP1LMNA
SCHEMBL16456689 0.77 CXCR1 (0.51) KDM4EMAPTALDH1A1TDP1LMNA

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-7585883-B2 Substituted pyridines and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-09-08 US disclosed
US-7585883-B2 Substituted pyridines and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-09-08 US disclosed
EP-1817303-A2 SUBSTITUTED PYRIDINES WITH ACTIVITY ON SYK KINASE Rigel Pharmaceuticals, Inc. (US) 2007-08-15 EP disclosed
US-20060178407-A1 Substituted pyridines and their uses RIGEL PHARMACEUTICAL, INC. (US) 2006-08-10 US disclosed
WO-2006050480-A2 SUBSTITUTED PYRIDINES WITH ACTIVITY ON SYK KINASE RIGEL PHARMACEUTICALS, INC. (US) 2006-05-11 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 (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-20060178407-A1 Substituted pyridines and their uses KIT, CPA3, CMA1 KDM4E 395/4885MAPT 3284/4885ALDH1A1 613/4885

“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.