SCHEMBL501874

SCHEMBL501874

Cc1cc([N+](=O)[O-])cnc1F

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
TSHR P16473 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
HTT P42858 2/20 0.46
GAA P10253 1/20 0.46
CYP3A4 P08684 2/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
GPR35 Q9HC97 1/20 0.42
ALOX12 P18054 1/20 0.41
MAPT P10636 3/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.39

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
SCHEMBL3942261 0.80 ALDH1A1 (0.50) ALDH1A1TSHRTDP1HTTGAA
SCHEMBL16992887 0.80 ALDH1A1 (0.46) ALDH1A1TSHRTDP1HTTMEN1
SCHEMBL29606539 0.80 ALDH1A1 (0.50) ALDH1A1TSHRTDP1HTTGAA
SCHEMBL30625727 0.80 ALDH1A1 (0.46) ALDH1A1TSHRTDP1HTTMEN1
SCHEMBL2083152 0.78 ALDH1A1 (0.50) ALDH1A1TSHRTDP1HTTCYP3A4
SCHEMBL12065144 0.78 ALDH1A1 (0.48) ALDH1A1TSHRTDP1HTTGAA
Ammonia Solution, Strong SCHEMBL27652614 0.78 ALDH1A1 (0.48) ALDH1A1TSHRTDP1HTTGAA
SCHEMBL1663659 0.78 ALDH1A1 (0.54) ALDH1A1TSHRTDP1HTTGAA
SCHEMBL7408717 0.77 ALDH1A1 (0.45) ALDH1A1HTTCYP3A4MEN1KMT2A
SCHEMBL31073706 0.77 ALDH1A1 (0.45) ALDH1A1HTTCYP3A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4522618-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS Merck Patent GmbH (DE) 2025-03-19 EP disclosed
CN-115151252-B Iron death inhibitor-diarylamine acetamides 维泰瑞隆有限公司 2024-08-27 CN disclosed
CN-111936487-B Compounds for the treatment of kinase dependent disorders 埃克塞里艾克西斯公司 2024-07-09 CN disclosed
US-20240166601-A1 NLRX1 LIGANDS LANDOS BIOPHARMA, INC. (US) 2024-05-23 US disclosed
US-20240150371-A1 Compounds for the Treatment of Kinase-Dependent Disorders EXELIXIS, INC. 2024-05-09 US disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 US disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 US disclosed
WO-2023220541-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS MERCK PATENT GMBH (DE) 2023-11-16 WO disclosed
EP-4212513-A1 1,3,5-TRIS(6-METHYLPYRIDIN-2-YLOXY)BENZENE DERIVATIVES AND RELATED COMPOUNDS AS NLRX1 LIGANDS FOR TREATING INFLAMMATORY DISEASES LANDOS BIOPHARMA, INC. (US) 2023-07-19 EP disclosed
US-11680045-B2 NLRX1 ligands LANDOS BIOPHARMA, INC. (US) 2023-06-20 US disclosed
US-6133253-A NEURONAL CELL DEATH PREVENTORS AND ANTI-INFLAMMATORIES ABBOTT LABORATORIES (US) 2000-10-17 US disclosed
CN-1245496-A 3-pyridyl enantiomers and their use as analgesics ABBOTT LAB (US) 2000-02-23 CN disclosed
EP-0970083-A1 7a-HETEROCYCLE-SUBSTITUTED HEXAHYDRO-1H-PYRROLIZINE COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 2000-01-12 EP disclosed
EP-0950057-A1 3-PYRIDYL ENANTIOMERS AND THEIR USE AS ANALGESICS Abbott Laboratories (US) 1999-10-20 EP disclosed
WO-1999032480-A1 HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1999-07-01 WO disclosed
WO-1998037082-A1 7a-HETEROCYCLE-SUBSTITUTED HEXAHYDRO-1H-PYRROLIZINE COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1998-08-27 WO disclosed
WO-1998025920-A1 3-PYRIDYL ENANTIOMERS AND THEIR USE AS ANALGESICS ABBOTT LABORATORIES (US) 1998-06-18 WO disclosed
EP-0846114-A1 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 1998-06-10 EP disclosed
US-5733912-A NERVOUS SYSTEM DISORDERS IN NERVE CELLS ABBOTT LABORATORIES (US) 1998-03-31 US disclosed
WO-1996040682-A1 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1996-12-19 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-11680045-B2 NLRX1 ligands NLRP1, NLRP3, NOD1 ALDH1A1 4423/4885TSHR 2986/4885TDP1 2746/4885
US-20240166601-A1 NLRX1 LIGANDS NLRP1, NLRP3, NOD1 ALDH1A1 4423/4885TSHR 2986/4885TDP1 2746/4885
US-20240150371-A1 Compounds for the Treatment of Kinase-Dependent Disorders ERBB2, MAP3K6, PRKCH ALDH1A1 3263/4885TSHR 997/4885TDP1 3147/4885
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS PDXK, DTYMK, HIPK1 ALDH1A1 3576/4885TSHR 3945/4885TDP1 462/4885

“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.