SCHEMBL1855978

SCHEMBL1855978

CNc1cccc(F)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
KAT2B Q92831 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 7/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
HTT P42858 3/20 0.39
LMNA P02545 2/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 2/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL22325730 0.98 ALDH1A1 (0.44) ALDH1A1TDP1KAT2BSMN1; SMN2TSHR
SCHEMBL22325879 0.86 MAPT (0.35) ALDH1A1TDP1KAT2BSMN1; SMN2TSHR
SCHEMBL4090578 0.85 ALDH1A1 (0.41) ALDH1A1TDP1KAT2BSMN1; SMN2TSHR
SCHEMBL2958662 0.83 KAT2B (0.41) ALDH1A1TDP1KAT2BSMN1; SMN2TSHR
SCHEMBL29132780 0.83 KMT2A (0.42) ALDH1A1TDP1KAT2BSMN1; SMN2MAPT
SCHEMBL982086 0.82 KAT2B (0.48) ALDH1A1TDP1KAT2BTSHRMAPT
SCHEMBL4085561 0.82 LMNA (0.41) ALDH1A1TDP1KAT2BSMN1; SMN2TSHR
SCHEMBL28520813 0.82 MAPT (0.40) ALDH1A1TDP1KAT2BSMN1; SMN2TSHR
SCHEMBL3141471 0.81 MAPT (0.51) ALDH1A1TDP1SMN1; SMN2MAPTMEN1
SCHEMBL22325943 0.81 LMNA (0.40) ALDH1A1TDP1KAT2BSMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260042747-A1 KIT INHIBITORS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF ALIVEXIS, INC. (JP) 2026-02-12 US disclosed
US-20250326770-A1 BENZOTRIAZOLE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2025-10-23 US disclosed
US-20250282724-A1 BENZOTRIAZOLE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2025-09-11 US disclosed
US-12378260-B2 Benzotriazole compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2025-08-05 US disclosed
EP-4565575-A1 KIT INHIBITORS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF Alivexis, Inc. (JP) 2025-06-11 EP disclosed
WO-2025096771-A1 MODULATORS OF BCL6 AS LIGAND DIRECTED DEGRADERS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-05-08 WO disclosed
CN-119866333-A KIT inhibitors, compounds, pharmaceutical compositions, and methods of use thereof 亚力维克希斯股份有限公司 2025-04-22 CN disclosed
US-20250092064-A1 BENZOTRIAZOLE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2025-03-20 US disclosed
EP-4509504-A1 BENZOTRIAZOLE COMPOUND Daiichi Sankyo Company, Limited (JP) 2025-02-19 EP disclosed
CN-119173511-A Benzotriazole compounds 第一三共株式会社 2024-12-20 CN disclosed
US-7429583-B2 Betamimetics for the treatment of respiratory complaints BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-30 US disclosed
WO-2007104772-A9 NOVEL ENANTIOMERICALLY PURE BETA-AGONISTS, METHOD FOR THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2007-11-22 WO disclosed
US-20070249595-A1 Novel Enantiomeric Pure Beta Agonists, Manufacturing and Use as a Medicament Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-25 US disclosed
WO-2007104772-A1 NOVEL ENANTIOMERICALLY PURE BETA-AGONISTS, METHOD FOR THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-20 WO disclosed
CN-101039937-A Heteroaryl compounds for use as betamimetics in the treatment of respiratory diseases BOEHRINGER INGELHEIM INT (DE) 2007-09-19 CN disclosed
US-20070203125-A1 Medicament Combinations for the Treatment of Respiratory Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-30 US disclosed
WO-2007093608-A1 DRUG COMBINATIONS FOR THE TREATMENT OF RESPIRATORY TRACT DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-23 WO disclosed
EP-1794154-A1 HETEROARYL COMPOUNDS FOR USE AS BETAMIMETICS IN THE TREATMENT OF RESPIRATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2007-06-13 EP disclosed
WO-2006032627-A1 HETEROARYL COMPOUNDS FOR USE AS BETAMIMETICS IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-30 WO disclosed
US-20060063817-A1 New betamimetics for the treatment of respiratory complaints BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-23 US 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 (8 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-20060063817-A1 New betamimetics for the treatment of respiratory complaints CHRM1, ADRB1, ADRA1B ALDH1A1 1726/4885TDP1 1663/4885KAT2B 2998/4885
US-20070249595-A1 Novel Enantiomeric Pure Beta Agonists, Manufacturing and Use as a Medicament Thereof ADRB1, ADRA1B, ADRA2B ALDH1A1 2222/4885TDP1 1622/4885KAT2B 3198/4885
US-20250092064-A1 BENZOTRIAZOLE COMPOUND NFE2L2, BPTF, KEAP1 ALDH1A1 416/4885TDP1 2860/4885KAT2B 529/4885
US-12378260-B2 Benzotriazole compound NFE2L2, BPTF, KEAP1 ALDH1A1 416/4885TDP1 2860/4885KAT2B 529/4885
US-20250326770-A1 BENZOTRIAZOLE COMPOUND KEAP1, NFE2L2, TXNRD2 ALDH1A1 588/4885TDP1 2723/4885KAT2B 864/4885
US-20070203125-A1 Medicament Combinations for the Treatment of Respiratory Diseases CHRM1, CHRM2, MTNR1B ALDH1A1 993/4885TDP1 3328/4885KAT2B 4064/4885
US-20250282724-A1 BENZOTRIAZOLE COMPOUND NFE2L2, BPTF, KEAP1 ALDH1A1 416/4885TDP1 2860/4885KAT2B 529/4885
US-20260042747-A1 KIT INHIBITORS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KIT, LTK, HRH3 ALDH1A1 1295/4885TDP1 1071/4885KAT2B 1315/4885

“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.