SCHEMBL631164

SCHEMBL631164

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.63
CYP3A4 P08684 2/20 0.63
CTSB P07858 1/20 0.51
MAPT P10636 5/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 5/20 0.42
ATM Q13315 1/20 0.42
PDE7A Q13946 1/20 0.41
LMNA P02545 1/20 0.40
TYMS P04818 1/20 0.39
PKM P14618 2/20 0.39
P2RY6 Q15077 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
G6PD P11413 1/20 0.38

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 0.87 ALDH1A1 (0.50) ALDH1A1CYP3A4CTSBMAPTSMN1; SMN2
SCHEMBL7787972 0.82 ALDH1A1 (0.59) ALDH1A1CYP3A4CTSBMAPTSMN1; SMN2
SCHEMBL29617721 0.82 TDP1 (0.44) ALDH1A1CYP3A4CTSBMAPTTDP1
SCHEMBL602423 0.82 TDP1 (0.53) ALDH1A1CYP3A4CTSBMAPTSMN1; SMN2
SCHEMBL2132590 0.82 TDP1 (0.44) ALDH1A1CYP3A4CTSBMAPTTDP1
SCHEMBL29706644 0.79 ALDH1A1 (0.68) ALDH1A1CYP3A4CTSBMAPTSMN1; SMN2
SCHEMBL2783704 0.79 ALDH1A1 (0.68) ALDH1A1CYP3A4CTSBMAPTSMN1; SMN2
SCHEMBL18496986 0.79 ATM (0.48) ALDH1A1CYP3A4MAPTSMN1; SMN2TDP1
SCHEMBL4704860 0.78 ALDH1A1 (0.43) ALDH1A1CYP3A4CTSBMAPTSMN1; SMN2
SCHEMBL3296412 0.78 ALDH1A1 (0.47) ALDH1A1CYP3A4CTSBMAPTTDP1

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 96 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250186425-A1 PPARG INVERSE AGONISTS AND USES THEREOF FLARE THERAPEUTICS INC. 2025-06-12 US disclosed
EP-4219460-B1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA INC (US) 2025-02-26 EP disclosed
EP-4490147-A1 PPARG INVERSE AGONISTS AND USES THEREOF Flare Therapeutics Inc. (US) 2025-01-15 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
CN-118984823-A PPARG inverse agonists and uses thereof 弗拉雷治疗公司 2024-11-19 CN disclosed
WO-2024026419-A1 QUINOXALINE DERIVATIVES AS PIK3 ALPHA MODULATORS BLACK DIAMOND THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
WO-2023172845-A1 PPARG INVERSE AGONISTS AND USES THEREOF FLARE THERAPEUTICS INC. (US) 2023-09-14 WO disclosed
EP-4219460-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS Sitari Pharma, Inc. (US) 2023-08-02 EP disclosed
WO-2023118267-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2023-06-29 WO disclosed
EP-0647137-A1 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-04-12 EP disclosed
EP-0501378-B1 NMDA Antagonists MERRELL DOW PHARMA (US) 1995-01-11 EP disclosed
US-5360814-A NMDA antagonists MERRELL DOW PHARMACEUTICALS INC. (US) 1994-11-01 US disclosed
EP-0405525-B1 Novel cyanoguanidine derivatives KANEBO LTD (JP) 1994-09-14 EP disclosed
WO-1994000124-A1 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF WEBER ECKARD (US) 1994-01-06 WO disclosed
EP-0573562-A1 NMDA ANTAGONISTS. MERRELL DOW PHARMA (US) 1993-12-15 EP disclosed
WO-1992015565-A1 NMDA ANTAGONISTS MERRELL DOW PHARMACEUTICALS INC. (US) 1992-09-17 WO disclosed
EP-0501378-A1 NMDA Antagonists MERRELL DOW PHARMACEUTICALS INC. (US) 1992-09-02 EP disclosed
US-5087640-A Potassium channel openers; hypotensive agents, coronary vasodilators KANEBO, LTD. (JP) 1992-02-11 US disclosed
EP-0405525-A2 Novel cyanoguanidine derivatives KANEBO, LTD. (JP) 1991-01-02 EP 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 (3 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-20250186425-A1 PPARG INVERSE AGONISTS AND USES THEREOF PPARG, PPARA, PPARD ALDH1A1 1455/4885CYP3A4 628/4885CTSB 2648/4885
US-12152026-B2 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 ALDH1A1 4148/4885CYP3A4 3514/4885CTSB 321/4885
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS TGM2, TGM3, TGM1 ALDH1A1 4148/4885CYP3A4 3514/4885CTSB 321/4885

“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.