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
SCHEMBL5875686 0.81 ADORA3 (0.49) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL1062638 0.81 ADORA3 (0.69) CRHBPCRHR2ALDH1A1MEN1KMT2A
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.

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