SCHEMBL21685487

SCHEMBL21685487

Nc1c(CC2CC2)cc(F)cc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.36
▸ PRKCQ Q04759 4/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ PDE7A Q13946 1/20 0.35
▸ MAPT P10636 6/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ POLB P06746 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TYMS P04818 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPK1 P28482 2/20 0.32
▸ VCAM1 P19320 1/20 0.32
▸ GLA P06280 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
SCHEMBL7784325 0.76 ALDH1A1 (0.50) ALDH1A1CYP3A4CTSBPDE7AMAPT
SCHEMBL21684970 0.75 SLC6A4 (0.33) MAPK1
SCHEMBL21684972 0.74 ALDH1A1 (0.41) ALDH1A1CYP3A4CTSBPDE7AMAPT
SCHEMBL21684546 0.73 ALDH1A1 (0.43) ALDH1A1CYP3A4CTSBPDE7AMAPT
SCHEMBL7787972 0.71 ALDH1A1 (0.59) ALDH1A1CYP3A4CTSBPDE7AMAPT
SCHEMBL602423 0.71 TDP1 (0.53) ALDH1A1CYP3A4CTSBPDE7AMAPT
SCHEMBL15888583 0.71 MAPK1 (0.52) ALDH1A1PRKCQPDE7AMAPTSMN1; SMN2
SCHEMBL15888596 0.71 MAPK1 (0.52) ALDH1A1PRKCQCTSBMAPTATM
SCHEMBL23361127 0.70 SLC6A4 (0.39) CYP3A4TDP1HTTLMNAMAPK1
SCHEMBL10267404 0.70 PDGFRB (0.50) ALDH1A1MAPTSMN1; SMN2POLBMEN1

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 4148/4885PRKCQ 1430/4885CYP3A4 3514/4885
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 ALDH1A1 4148/4885PRKCQ 1430/4885CYP3A4 3514/4885
US-12152026-B2 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 ALDH1A1 4148/4885PRKCQ 1430/4885CYP3A4 3514/4885
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS TGM2, TGM3, TGM1 ALDH1A1 4148/4885PRKCQ 1430/4885CYP3A4 3514/4885

“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.

Send feedback