SCHEMBL21684610

SCHEMBL21684610

Brc1cccc2[nH]c(COCc3ccccc3)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.43
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ HTR6 P50406 2/20 0.40
▸ NPC1 O15118 5/20 0.39
▸ RAB9A P51151 5/20 0.39
▸ TP53 P04637 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ PDE5A O76074 1/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ GRM2 Q14416 1/20 0.38
▸ DHODH Q02127 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ MAPT P10636 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
SCHEMBL7692083 0.83 GRIN2B (0.59) TSHRGRIN1GRIN2BHTR6NPC1
SCHEMBL23508272 0.76 TNKS (0.46) SMN1; SMN2MAPTMAPK1
SCHEMBL14300571 0.73 TDP1 (0.40) GRIN1GRIN2BHTR6RAB9ASMN1; SMN2
SCHEMBL38663405 0.73 BACE1 (0.38) GRIN1GRIN2BHTR6NPC1RAB9A
SCHEMBL4068221 0.73 ALDH1A1 (0.35) GRIN1GRIN2BHTR6GRM2
SCHEMBL31029252 0.73 DDAH1 (0.53) HTR6SMN1; SMN2GAAGRM2
SCHEMBL28871267 0.73 DDAH1 (0.53) HTR6SMN1; SMN2GAAGRM2
SCHEMBL9754832 0.71 ALDH1A1 (0.46) GRM2
SCHEMBL21685378 0.69 RHEB (0.43) TSHRNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL28871299 0.69 POLB (0.44) GRM2

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 11 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
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
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 TSHR 2931/4885GRIN1 1157/4885GRIN2B 628/4885
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 TSHR 2931/4885GRIN1 1157/4885GRIN2B 628/4885
US-12152026-B2 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 TSHR 2931/4885GRIN1 1157/4885GRIN2B 628/4885
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS TGM2, TGM3, TGM1 TSHR 2931/4885GRIN1 1157/4885GRIN2B 628/4885

“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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