SCHEMBL12768622

SCHEMBL12768622

O=C(O)c1csc([N+](=O)[O-])c1Br

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 2/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
DTYMK P23919 1/20 0.34
GPR35 Q9HC97 2/20 0.34
EIF4E P06730 3/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.32

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
SCHEMBL14242232 0.84 TSHR (0.36) TSHRALDH1A1TDP1HTTMAPT
SCHEMBL1527614 0.80 CHEK1 (0.37) TSHRALDH1A1TDP1HTTMAPT
SCHEMBL753662 0.79 TSHR (0.38) TSHRALDH1A1TDP1CYP3A4ALOX15
SCHEMBL12262070 0.78 TSHR (0.46) TSHRALDH1A1TDP1CYP3A4ALOX15
SCHEMBL335434 0.76 MAPT (0.50) TSHRALDH1A1HTTMAPTPKM
SCHEMBL3710683 0.76 GSK3B (0.33) ALDH1A1CYP3A4
SCHEMBL12574256 0.74 PKM (0.49) TSHRALDH1A1TDP1EIF4ETP53
SCHEMBL4584288 0.71 TSHR (1.00) TSHRALDH1A1ALOX15GPR35MAPT
SCHEMBL17886205 0.71 CYP1A2 (0.41) TSHRALDH1A1TDP1CYP3A4HTT
SCHEMBL28018641 0.70 ALDH1A1 (0.45) ALDH1A1CYP3A4HTTMAPT

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-118530294-B Aryl diamine immobilized linker, precursor thereof, preparation method and application 浙江大学 2025-02-14 CN disclosed
US-20170121349-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2017-05-04 US disclosed
WO-2015193506-A1 ANTI-INFECTIVE COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2015-12-23 WO disclosed
CN-103827100-B For reducing [1,2,4] thiadiazine 1,1-dioxide compound of serum uric acid ANADYS PHARMACEUTICALS, INC. (US) 2015-08-12 CN disclosed
CN-103827100-A [1,2,4]thiadiazine 1,1-dioxide compounds for lowering serum uric acid ANADYS PHARMACEUTICALS INC 2014-05-28 CN disclosed
CN-102316871-A [1,2,4]thiadiazine 1,1-dioxide compounds ANADYS PHARMACEUTICALS INC 2012-01-11 CN disclosed
US-20110065698-A1 NOVEL PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2011-03-17 US disclosed
US-20110065698-A1 NOVEL PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2011-03-17 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 (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-20110065698-A1 NOVEL PROTEIN KINASE MODULATORS PIM2, PIM1, PIM3 TSHR 3026/4885ALDH1A1 4208/4885TDP1 1173/4885
US-20170121349-A1 Anti-Infective Compounds FNTB, LSS, PGLS TSHR 2507/4885ALDH1A1 1595/4885TDP1 4199/4885

“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.