SCHEMBL21684963

SCHEMBL21684963

O=c1c([N+](=O)[O-])cccn1Cc1nc2cc(F)ccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
RECQL P46063 1/20 0.46
DRD4 P21917 3/20 0.43
GAA P10253 1/20 0.40
RAD52 P43351 1/20 0.39
MAP4K1 Q92918 3/20 0.37
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
SOS1 Q07889 1/20 0.35
ELANE P08246 1/20 0.35
POLB P06746 1/20 0.34
KCNJ1 P48048 1/20 0.34
RIPK1 Q13546 1/20 0.34

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
SCHEMBL21685451 0.83 DRD4 (0.40) ALDH1A1HTTSMN1; SMN2L3MBTL1DRD4
SCHEMBL21684646 0.80 ALDH1A1 (0.58) ALDH1A1HTTSMN1; SMN2L3MBTL1RECQL
SCHEMBL21685534 0.78 ALDH1A1 (0.49) ALDH1A1HTTSMN1; SMN2L3MBTL1RECQL
SCHEMBL21684357 0.78 ALDH1A1 (0.48) ALDH1A1HTTSMN1; SMN2L3MBTL1RECQL
SCHEMBL21685669 0.78 ALDH1A1 (0.46) ALDH1A1HTTSMN1; SMN2L3MBTL1RECQL
SCHEMBL25939445 0.77 MAP4K1 (0.45) ALDH1A1SMN1; SMN2L3MBTL1DRD4MAP4K1
SCHEMBL21685603 0.77 MAP4K1 (0.53) ALDH1A1HTTSMN1; SMN2L3MBTL1RECQL
SCHEMBL21685667 0.76 ALDH1A1 (0.56) ALDH1A1HTTSMN1; SMN2L3MBTL1RECQL
SCHEMBL31304024 0.76 ALDH1A1 (0.56) ALDH1A1HTTSMN1; SMN2L3MBTL1RECQL
SCHEMBL21684620 0.75 ALDH1A1 (0.55) ALDH1A1HTTSMN1; SMN2L3MBTL1RECQL

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.