SCHEMBL21685403

SCHEMBL21685403

CC(C)=Cc1cccc(N)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
ERN1 O75460 1/20 0.40
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
KMT2A Q03164 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
TSHR P16473 1/20 0.36
GPR35 Q9HC97 1/20 0.36
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GLO1 Q04760 1/20 0.36
FBP1 P09467 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
PDE7A Q13946 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL24331538 0.81 ALDH1A1 (0.60) ALDH1A1TDP1ERN1MEN1KMT2A
SCHEMBL29954426 0.79 ERN1 (0.49) ALDH1A1TDP1ERN1MEN1USP2
SCHEMBL11048252 0.77 MEN1 (0.40) ALDH1A1TDP1ERN1MEN1USP2
SCHEMBL11551067 0.75 TDP1 (0.52) ALDH1A1TDP1MEN1USP2KMT2A
SCHEMBL3390153 0.75 TDP1 (0.52) ALDH1A1TDP1MEN1USP2KMT2A
SCHEMBL14609881 0.74 MAPT (0.39) ALDH1A1TDP1ERN1MEN1USP2
Hydrochloric Acid SCHEMBL5914596 0.73 TDP1 (0.50) ALDH1A1TDP1MEN1USP2KMT2A
SCHEMBL28586114 0.73 MEN1 (0.37) ALDH1A1TDP1ERN1MEN1USP2
SCHEMBL2646463 0.72 ALDH1A1 (0.42) ALDH1A1TDP1MEN1KMT2ATSHR
SCHEMBL23453112 0.72 CD44 (0.43) ALDH1A1TDP1ERN1TSHRSMN1; SMN2

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 10 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-3833348-B1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA INC (US) 2023-05-31 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 4148/4885TDP1 1246/4885ERN1 3587/4885
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 ALDH1A1 4148/4885TDP1 1246/4885ERN1 3587/4885
US-12152026-B2 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 ALDH1A1 4148/4885TDP1 1246/4885ERN1 3587/4885
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS TGM2, TGM3, TGM1 ALDH1A1 4148/4885TDP1 1246/4885ERN1 3587/4885

“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.