SCHEMBL5875845

SCHEMBL5875845

NC(=O)c1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.56
CRHR2 Q13324 2/20 0.56
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 9/20 0.54
KMT2A Q03164 9/20 0.54
MAPT P10636 6/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 2/20 0.54
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
ALOX12 P18054 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
AGTR1 P30556 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TSHR P16473 1/20 0.45
SIRT4 Q9Y6E7 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
SCHEMBL5875752 0.82 ADORA3 (0.67) CRHBPCRHR2ALDH1A1MEN1KMT2A
SCHEMBL1062638 0.81 ADORA3 (0.69) CRHBPCRHR2ALDH1A1MEN1KMT2A
SCHEMBL5875686 0.81 ADORA3 (0.49) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5875742 0.79 ADORA3 (0.47) CRHBPCRHR2ALDH1A1MEN1KMT2A
SCHEMBL17547304 0.78 ALDH1A1 (0.55) CRHBPCRHR2ALDH1A1MEN1KMT2A
SCHEMBL27908158 0.75 XDH (0.56) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL12793835 0.75 ALDH1A1 (0.64) CRHBPCRHR2ALDH1A1MEN1KMT2A
SCHEMBL3205770 0.72 TSHR (0.79) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL5875593 0.72 CA1 (0.52) KMT2AMAPTLMNA
SCHEMBL19224557 0.69 LOXL2 (0.59) ALDH1A1GAANPSR1ADORA3SLC6A3

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
JP-2006504796-A 2006-02-09 JP claimed
EP-1551815-A1 THIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP claimed
US-20040152747-A1 Thiazole compounds for treatment of neurodegenerative disorders PFIZER INC 2004-08-05 US claimed
WO-2004033439-A1 THIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-04-22 WO claimed
EP-1551815-A1 THIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP disclosed
US-20040152747-A1 Thiazole compounds for treatment of neurodegenerative disorders PFIZER INC 2004-08-05 US disclosed
WO-2004033439-A1 THIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-04-22 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-20040152747-A1 Thiazole compounds for treatment of neurodegenerative disorders APP, PARK7, IAPP CRHBP 3205/4885CRHR2 1421/4885ALDH1A1 590/4885

“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.