SCHEMBL3300905

SCHEMBL3300905

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
GAA P10253 4/20 0.48
HPGD P15428 2/20 0.48
MAPT P10636 6/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 4/20 0.43
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 2/20 0.42
GALR2 O43603 1/20 0.42
MITF O75030 1/20 0.42
HSP90AA1 P07900 1/20 0.42
XBP1 P17861 1/20 0.42
CCR6 P51684 1/20 0.42
KMT2A Q03164 3/20 0.40
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 2/20 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
SCHEMBL29722774 1.00 ALDH1A1 (0.48) ALDH1A1GAAHPGDMAPTKDM4E
SCHEMBL3449671 0.86 MAPT (0.47) ALDH1A1GAAHPGDMAPTKDM4E
SCHEMBL3635385 0.84 ALDH1A1 (0.65) ALDH1A1GAAHPGDMAPTKDM4E
SCHEMBL28551635 0.83 MAPT (0.45) ALDH1A1GAAHPGDMAPTKDM4E
SCHEMBL1285514 0.83 MAPT (0.56) ALDH1A1GAAHPGDMAPTKDM4E
SCHEMBL6488967 0.83 ALDH1A1 (0.49) ALDH1A1GAAHPGDMAPTKDM4E
SCHEMBL21756535 0.82 ALDH1A1 (0.44) ALDH1A1GAAHPGDMAPTLMNA
SCHEMBL12329603 0.82 HRAS (0.49) ALDH1A1GAAHPGDMAPTKDM4E
SCHEMBL9064586 0.82 MAPT (0.44) ALDH1A1GAAHPGDMAPTKDM4E
SCHEMBL1632654 0.81 ALDH1A1 (0.48) ALDH1A1GAAHPGDMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250059157-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2025-02-20 US disclosed
US-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-09-28 US disclosed
US-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-09-28 US disclosed
US-11629134-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2023-04-18 US disclosed
CN-108699032-B Polycyclic TLR7/8 antagonists and their use in the treatment of immune disorders 默克专利有限公司 2022-07-22 CN disclosed
CN-113603675-A Polycyclic TLR7/8 antagonists and their use in the treatment of immune disorders 默克专利有限公司 2021-11-05 CN disclosed
EP-3889145-A1 8-CYANO-5-PIPERIDINO-QUINOLINES AS TLR7/8 ANTAGONISTS AND THEIR USES FOR TREATING IMMUNE DISORDERS Merck Patent GmbH (DE) 2021-10-06 EP disclosed
EP-3889146-A1 POLYHETEROCYCLIC TLR7/8 ANTAGONISTS AND THEIR USES FOR TREATING IMMUNE DISORDERS Merck Patent GmbH (DE) 2021-10-06 EP disclosed
US-20210115013-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-04-22 US disclosed
US-10947213-B1 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2021-03-16 US disclosed
WO-2013148603-A1 CINNOLINE DERIVATIVES AS AS BTK INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-03 WO disclosed
US-7737166-B2 Antifungal bicyclic hetero ring compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-06-15 US disclosed
US-20090143353-A1 such as 2-tert-Butyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile hydrochloride, a 1,6-beta-glucan synthetase inhibitor having potent growth inhibition, used treating a fungal infections; fungicides DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-06-04 US disclosed
EP-1932837-A1 BICYCLO HETEROCYCLIC COMPOUND HAVING ANTIFUNGAL ACTION Daiichi Sankyo Company, Limited (JP) 2008-06-18 EP disclosed
US-5874579-A Insecticidal substituted-2.4-diaminoquinazolines related applications FMC CORPORATION (US) 1999-02-23 US disclosed
US-5616718-A USEFUL FOR MAKING 2,4-DIAMINOQUINAZOLINES; INSECTICIDES FMC CORPORATION (US) 1997-04-01 US disclosed
US-5534518-A Insecticidal substituted-2,4-diaminoquinazolines FMC CORPORATION (US) 1996-07-09 US disclosed
EP-0684824-A4 INSECTICIDAL SUBSTITUTED-2,4-DIAMINOQUINAZOLINES. FMC CORP (US) 1996-02-14 EP disclosed
EP-0684824-A1 INSECTICIDAL SUBSTITUTED-2,4-DIAMINOQUINAZOLINES FMC CORPORATION (US) 1995-12-06 EP disclosed
WO-1994018980-A1 INSECTICIDAL SUBSTITUTED-2,4-DIAMINOQUINAZOLINES FMC CORPORATION (US) 1994-09-01 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 (6 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-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 ALDH1A1 2648/4885GAA 950/4885HPGD 3856/4885
US-20090143353-A1 such as 2-tert-Butyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile hydrochloride, a 1,6-beta-glucan synthetase inhibitor having potent growth inhibition, used treating a fungal infections; fungicides CTPS1, TPP1, STS ALDH1A1 835/4885GAA 62/4885HPGD 2817/4885
US-11629134-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 ALDH1A1 2648/4885GAA 950/4885HPGD 3856/4885
US-20210115013-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 ALDH1A1 2896/4885GAA 971/4885HPGD 3748/4885
US-10947213-B1 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 ALDH1A1 2648/4885GAA 950/4885HPGD 3856/4885
US-20250059157-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 ALDH1A1 2648/4885GAA 950/4885HPGD 3856/4885

“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.