SCHEMBL3575522

SCHEMBL3575522

O=S(=O)(O)c1ccc2ocnc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
CTNNB1 P35222 4/20 0.44
WNT3A P56704 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
DYRK1A Q13627 1/20 0.42
PIK3CD O00329 1/20 0.40
NAMPT P43490 1/20 0.39
HSD17B10 Q99714 3/20 0.38
KDM4E B2RXH2 2/20 0.38
FASN P49327 1/20 0.38
LMNA P02545 1/20 0.36
TSHR P16473 2/20 0.35
GCK P35557 1/20 0.35
NT5E P21589 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL5729056 0.82 DYRK1A (0.46) ALDH1A1MEN1GAAKMT2ACTNNB1
SCHEMBL2248217 0.79 MEN1 (0.46) ALDH1A1MEN1GAAKMT2ACTNNB1
SCHEMBL28413937 0.78 UTRN (0.47) ALDH1A1MEN1GAAKMT2ANPC1
SCHEMBL25669894 0.78 POLB (0.46) ALDH1A1MEN1GAAKMT2ACTNNB1
SCHEMBL29733131 0.77 PIK3CD (0.47) ALDH1A1MEN1GAAKMT2ACTNNB1
Benzo[D]Oxazole SCHEMBL8027820 0.74 ALDH1A1 (0.48) ALDH1A1MEN1GAAKMT2ASMN1; SMN2
SCHEMBL28423207 0.73 SMN1; SMN2 (0.53) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL21713276 0.72 HDAC6 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL29593464 0.72 HDAC6 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL31702152 0.71 PTPN5 (0.59) ALDH1A1MEN1GAAKMT2ANPC1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103002863-A Methods for improving the appearance of hyperpigmented spot(s) with multiple actives PROCTER & GAMBLE 2013-03-27 CN disclosed
US-7645753-B2 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
US-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 US disclosed
CN-1072842-A The application aspect adjusting wrinkle of skin and/or atrophoderma of N-acetyl-L-cysteine and derivant thereof ONE PROCTER & GAMBLE PLAZA CIN (US) 1993-06-09 CN disclosed
US-4028353-A CYANINE DYES, PHOTOGRAPHY POLAROID CORPORATION (US) 1977-06-07 US disclosed
US-3996215-A PHOTOGRAPHIC FILTER OR ANTIHALATION DYES FUJI PHOTO FILM CO., LTD. (JA) 1976-12-07 US disclosed
US-3976493-A CYANINE DYES POLAROID CORPORATION (US) 1976-08-24 US disclosed
US-3933507-A LIGHT INSENSITIVE SILVER SALT, POLYMETHINE SENSITIZER AGFA-GEVAERT, A.G. (DT) 1976-01-20 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 (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-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives SSTR5, SSTR1, SSTR2 ALDH1A1 934/4885MEN1 1588/4885GAA 1283/4885

“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.