Sugi Predict

Sugi Predict / Compounds / SCHEMBL101394

SCHEMBL101394

SCHEMBL101394

O=Cc1c(F)cccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 1/20 0.49
▸ TDP1 Q9NUW8 3/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ GPR35 Q9HC97 2/20 0.45
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ VCAM1 P19320 1/20 0.42
▸ HSPB1 P04792 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.41
▸ S100A4 P26447 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ CA1 P00915 1/20 0.40

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
SCHEMBL272154 0.86 ERN1 (0.57) ERN1TDP1KMT2AMEN1GPR35
SCHEMBL25319715 0.83 TDP1 (0.45) ERN1TDP1KMT2AMEN1GPR35
SCHEMBL27751259 0.81 HPGD (0.53) ERN1TDP1KMT2AMEN1NPC1
SCHEMBL22918190 0.78 ERN1 (0.65) ERN1TDP1KMT2AMEN1GPR35
SCHEMBL1619153 0.78 ERN1 (0.50) ERN1TDP1KMT2AMEN1GPR35
SCHEMBL31339796 0.78 ERN1 (0.50) ERN1TDP1KMT2AMEN1GPR35
SCHEMBL3050110 0.77 GPR35 (0.58) ERN1TDP1KMT2AMEN1GPR35
SCHEMBL13982712 0.77 ERN1 (0.49) ERN1TDP1KMT2AMEN1GPR35
SCHEMBL700297 0.77 TSHR (0.60) ERN1TDP1KMT2AMEN1GPR35
SCHEMBL103575 0.77 TDP1 (0.59) ERN1TDP1KMT2AMEN1GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111995577-A Synthetic method of 4-fluoro indazole 3-carbonitrile or derivatives thereof 上海代为化学科技有限公司 2020-11-27 — — CN claimed
WO-2024220626-A1 SMALL MOLECULE MODULATORS OF OGG1 AZKARRA THERAPEUTICS, INC. (US) 2024-10-24 — — WO disclosed
US-20240336591-A1 ORGANIC PYRIDINE-PYRAZOLE COMPOUNDS AND THEIR USES Benevolentai Cambridge Limited (GB) 2024-10-10 — — US disclosed
WO-2024183726-A1 CDK8/19 DUAL INHIBITORS AND METHODS OF USE THEREOF INSILICO MEDICINE IP LIMITED (CN) 2024-09-12 — — WO disclosed
CN-115611894-B Nitrogen-containing spiro compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof 心远(广州)药物研究有限公司 2024-07-02 — — CN disclosed
US-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. 2024-05-30 — — US disclosed
CN-115611901-B Azepine compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof 华南理工大学 2024-04-30 — — CN disclosed
WO-2024073073-A2 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-04-04 — — WO disclosed
US-20240059703-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. 2024-02-22 — — US disclosed
US-RE49698-E1 Substituted dihydroquinazolines AIC246 AG & CO. KG (DE) 2023-10-17 — — US disclosed
EP-1625129-A1 HETEROCYCLYL-SUBSTITUTED DIHYDROQUINAZOLINES AND USE THEREOF AS AN ANTIVIRAL AGENT Bayer HealthCare AG (DE) 2006-02-15 — — EP disclosed
EP-1622880-A1 SUBSTITUTED DIHYDROCHINAZOLINES HAVING ANTIVIRAL PROPERTIES Bayer HealthCare AG (DE) 2006-02-08 — — EP disclosed
WO-2005047278-A2 SUBSTITUTED DIHYDROQUINAZOLINES II BAYER HEALTHCARE AG (DE) 2005-05-26 — — WO disclosed
US-20050065160-A1 Substituted dihydroquinazolines BAYER HEALTHCARE AG (DE) 2005-03-24 — — US disclosed
WO-2004099212-A1 HETEROCYCLYL-SUBSTITUTED DIHYDROQUINAZOLINES AND USE THEREOF AS AN ANTIVIRAL AGENT BAYER HEALTHCARE AG (DE) 2004-11-18 — — WO disclosed
WO-2004096778-A1 SUBSTITUTED DIHYDROCHINAZOLINES HAVING ANTIVIRAL PROPERTIES BAYER HEALTHCARE AG (DE) 2004-11-11 — — WO disclosed
US-5929072-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY LIMITED (GB) 1999-07-27 — — US disclosed
WO-1999010346-A1 BENZOTHIADIAZINYL-INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS ELI LILLY AND COMPANY LIMITED (GB) 1999-03-04 — — WO disclosed
EP-0897921-A1 Benzothiadiazinyl-indole derivatives and their use as serotonin receptor ligands ELI LILLY AND COMPANY LIMITED (GB) 1999-02-24 — — EP disclosed
EP-0225175-A2 Dihydropyridine derivatives, processes for their preparation and pharmaceutical compositions thereof FISONS plc (GB) 1987-06-10 — — 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 (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-20050065160-A1 Substituted dihydroquinazolines TPMT, TYMP, DPYD ERN1 2844/4885TDP1 989/4885KMT2A 2633/4885
US-20240336591-A1 ORGANIC PYRIDINE-PYRAZOLE COMPOUNDS AND THEIR USES ALPI, NOD1, PNPO ERN1 2459/4885TDP1 2304/4885KMT2A 4576/4885
US-20240059703-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE KRAS, HRAS, APC ERN1 1465/4885TDP1 4325/4885KMT2A 4337/4885
US-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF LRRK2, MAP3K20, MAP3K5 ERN1 374/4885TDP1 608/4885KMT2A 836/4885

“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.