SCHEMBL21685565

SCHEMBL21685565

O=c1c([N+](=O)[O-])cccn1Cc1nc2c(Cc3ccccc3)ncnc2n1C1CCCCO1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 4/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ RECQL P46063 1/20 0.36
▸ SLC29A1 Q99808 4/20 0.35
▸ MAPK1 P28482 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ PDE1A P54750 1/20 0.33
▸ PDE1B Q01064 1/20 0.33
▸ PDE1C Q14123 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.31
▸ HTT P42858 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ PDE8B O95263 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
SCHEMBL21684983 0.88 MAP4K1 (0.46) MAP4K1SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL21685668 0.88 MAP4K1 (0.42) MAP4K1SMN1; SMN2NPC1RAB9ARECQL
SCHEMBL21685334 0.88 MAP4K1 (0.49) MAP4K1SMN1; SMN2NPC1RAB9ARECQL
SCHEMBL21703018 0.87 MAP4K1 (0.51) MAP4K1SMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL21685146 0.86 MAP4K1 (0.58) MAP4K1SMN1; SMN2RECQLCYP1A2HPGD
SCHEMBL21685477 0.78 NPC1 (0.46) MAP4K1SMN1; SMN2NPC1RAB9ASLC29A1
SCHEMBL21685742 0.77 MAP4K1 (0.38) MAP4K1SMN1; SMN2RECQLALDH1A1HTT
SCHEMBL21703370 0.77 MAP4K1 (0.48) MAP4K1SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL21685514 0.75 MAP4K1 (0.51) MAP4K1SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL21703277 0.75 MAP4K1 (0.49) MAP4K1SMN1; SMN2NPC1RAB9AMAPK1

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
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
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 MAP4K1 2520/4885SMN1; SMN2 2176/4885NPC1 3220/4885
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 MAP4K1 2520/4885SMN1; SMN2 2176/4885NPC1 3220/4885
US-12152026-B2 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 MAP4K1 2520/4885SMN1; SMN2 2176/4885NPC1 3220/4885
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS TGM2, TGM3, TGM1 MAP4K1 2520/4885SMN1; SMN2 2176/4885NPC1 3220/4885

“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.

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