SCHEMBL21685192

SCHEMBL21685192

O=c1c([N+](=O)[O-])cccn1Cc1nc2c(Oc3ccccc3)c(F)cc(F)c2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RECQL P46063 1/20 0.39
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.36
RAD52 P43351 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
ATM Q13315 1/20 0.33
MAP4K1 Q92918 2/20 0.33
XDH P47989 1/20 0.32
CFTR P13569 1/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
CYP19A1 P11511 1/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN2A Q12879 1/20 0.31

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
SCHEMBL21684626 0.86 MAP4K1 (0.35) MAP4K1XDH
SCHEMBL21685156 0.79 MAP4K1 (0.43) ALDH1A1HTTSMN1; SMN2L3MBTL1RECQL
SCHEMBL21684901 0.74 MAP4K1 (0.57) ALDH1A1HTTSMN1; SMN2L3MBTL1RECQL
SCHEMBL21703436 0.73 MAP4K1 (0.41) ALDH1A1HTTSMN1; SMN2MAPTMAP4K1
SCHEMBL21703079 0.72 MAP4K1 (0.42) MAP4K1
SCHEMBL21685603 0.72 MAP4K1 (0.53) ALDH1A1HTTSMN1; SMN2L3MBTL1RECQL
SCHEMBL21703080 0.71 MAP4K1 (0.42) MAP4K1ELANE
SCHEMBL30203394 0.70 ALDH1A1 (0.39) ALDH1A1HTTSMN1; SMN2L3MBTL1RECQL
SCHEMBL21685574 0.70 ALDH1A1 (0.39) ALDH1A1HTTSMN1; SMN2L3MBTL1RECQL
SCHEMBL21703330 0.70 MAP4K1 (0.43) MAP4K1XDHGRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219460-B1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA INC (US) 2025-02-26 EP disclosed
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC., 2025-01-09 US disclosed
US-12152026-B2 Transglutaminase 2 (TG2) inhibitors SITARI PHARMA, INC. (US) 2024-11-26 US disclosed
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 (4 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 ALDH1A1 4148/4885HTT 311/4885SMN1; SMN2 2176/4885
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 ALDH1A1 4148/4885HTT 311/4885SMN1; SMN2 2176/4885
US-12152026-B2 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 ALDH1A1 4148/4885HTT 311/4885SMN1; SMN2 2176/4885
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS TGM2, TGM3, TGM1 ALDH1A1 4148/4885HTT 311/4885SMN1; SMN2 2176/4885

“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.