SCHEMBL21685488

SCHEMBL21685488

O=[N+]([O-])c1cccc(I)c1N(F)F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.45
GPR35 Q9HC97 2/20 0.44
ALDH1A1 P00352 5/20 0.40
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
S100A4 P26447 2/20 0.39
TXNRD1 Q16881 1/20 0.39
TXNRD3 Q86VQ6 1/20 0.39
TXNRD2 Q9NNW7 1/20 0.39
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE10A Q9Y233 1/20 0.36
PTPRC P08575 1/20 0.36
ERN1 O75460 1/20 0.36

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
SCHEMBL21001071 0.79 TDP1 (0.47) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL27920301 0.75 TDP1 (0.50) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL7531431 0.74 TDP1 (0.54) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL25105 0.73 HSD17B10 (0.54) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL28554564 0.73 HSD17B10 (0.54) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL10379786 0.73 HSD17B10 (0.54) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL9860246 0.72 TSHR (0.59) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL11350912 0.71 TDP1 (0.50) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL3140273 0.71 TDP1 (0.72) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL27944051 0.71 TDP1 (0.50) TDP1GPR35ALDH1A1TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219460-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS Sitari Pharma, Inc. (US) 2023-08-02 EP disclosed
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors SITARI PHARMA, INC. (US) 2023-01-10 US disclosed
EP-3833348-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC (US) 2021-06-16 EP disclosed
US-20210163480-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC. 2021-06-03 US disclosed
CN-112789040-A Transglutaminase 2(TG2) inhibitors 思达利医药公司 2021-05-11 CN disclosed
WO-2020033784-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC. (US) 2020-02-13 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 (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-20210163480-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS TGM2, TGM3, TGM1 TDP1 1246/4885GPR35 3459/4885ALDH1A1 4148/4885
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 TDP1 1246/4885GPR35 3459/4885ALDH1A1 4148/4885

“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.