SCHEMBL21684972

SCHEMBL21684972

CC(C)(C)Cc1cc(F)cc([N+](=O)[O-])c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ PDE7A Q13946 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CYP3A4 P08684 3/20 0.37
▸ TSHR P16473 3/20 0.37
▸ RECQL P46063 1/20 0.37
▸ MAPT P10636 2/20 0.35
▸ TDP1 Q9NUW8 3/20 0.35
▸ ALOX15 P16050 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ G6PD P11413 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ APOBEC3G Q9HC16 1/20 0.35

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 0.77 ALDH1A1 (0.50) ALDH1A1PDE7APOLBCYP3A4TSHR
SCHEMBL21684546 0.77 ALDH1A1 (0.43) ALDH1A1PDE7APOLBHTTCYP3A4
SCHEMBL21685540 0.75 MAPT (0.41) ALDH1A1POLBHTTMAPTKDM4E
SCHEMBL21685376 0.74 ADRB1 (0.30) —
SCHEMBL21685487 0.74 ALDH1A1 (0.36) ALDH1A1PDE7APOLBHTTCYP3A4
SCHEMBL10267404 0.74 PDGFRB (0.50) ALDH1A1POLBHTTMAPTMAPK1
SCHEMBL30419445 0.73 ALDH1A1 (0.47) ALDH1A1PDE7ACYP3A4TSHRRECQL
SCHEMBL3296412 0.73 ALDH1A1 (0.47) ALDH1A1PDE7ACYP3A4TSHRRECQL
SCHEMBL602423 0.72 TDP1 (0.53) ALDH1A1PDE7APOLBCYP3A4TSHR
SCHEMBL7787972 0.72 ALDH1A1 (0.59) ALDH1A1PDE7APOLBCYP3A4TSHR

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 4148/4885PDE7A 3538/4885POLB 3576/4885
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 ALDH1A1 4148/4885PDE7A 3538/4885POLB 3576/4885
US-12152026-B2 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 ALDH1A1 4148/4885PDE7A 3538/4885POLB 3576/4885
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS TGM2, TGM3, TGM1 ALDH1A1 4148/4885PDE7A 3538/4885POLB 3576/4885

“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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