SCHEMBL429697

SCHEMBL429697

N=C(N)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 4/20 0.59
F2 P00734 4/20 0.59
PLAU P00749 2/20 0.59
PRSS1 P07477 7/20 0.55
PRSS2 P07478 2/20 0.55
PRSS3 P35030 2/20 0.55
TMPRSS2 O15393 2/20 0.52
PRMT1 Q99873 3/20 0.50
F10 P00742 2/20 0.50
PRMT5 O14744 1/20 0.50
SLC22A2 O15244 1/20 0.50
SLC22A1 O15245 1/20 0.50
PTP4A3 O75365 1/20 0.50
SLC22A3 O75751 1/20 0.50
PLG P00747 1/20 0.50
S100B P04271 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
ADRA2A P08913 1/20 0.50

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
Hydrochloric Acid SCHEMBL1550092 0.98 ST14 (0.57) ST14F2PLAUPRSS1PRSS2
Hydrochloric Acid SCHEMBL25262157 0.96 ST14 (0.55) ST14F2PLAUPRSS1PRSS2
SCHEMBL7074164 0.83 HRH3 (0.61) ST14F2PRSS1PRSS2PRSS3
SCHEMBL12988740 0.82 ST14 (0.53) ST14F2PLAUPRSS1PRSS2
SCHEMBL15508820 0.79 TRPV1 (0.45) GRIN2B
SCHEMBL8235372 0.79 PRSS1 (0.61) ST14F2PLAUPRSS1PRSS2
SCHEMBL324161 0.79 PARP10 (0.59) SLC6A2SLC6A4
SCHEMBL3369517 0.79 MAPT (0.53) GRIN2B
SCHEMBL23690300 0.79 MAPT (0.51) GRIN2B
Acetic Acid SCHEMBL27550402 0.78 HRH3 (0.59) ST14F2PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111491925-B Pesticidal compounds 巴斯夫欧洲公司 2023-12-29 CN disclosed
WO-2023073115-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-04 WO disclosed
EP-4173485-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-03 EP disclosed
EP-3275440-B1 NOVEL OXADIAZOLE DERIVATIVE AND PHARMACEUTICAL CONTAINING SAME NAT CT GERIATRICS & GERONTOLOGY (JP) 2022-05-04 EP disclosed
WO-2021150700-A1 N-SUBSTITUTED-3-TRICYCLYL PIPERIDINE DERIVATIVES AS ANTICANCER AND NEUROPROTECTIVE AGENTS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2021-07-29 WO disclosed
US-20180072708-A1 NOVEL OXADIAZOLE DERIVATIVE AND PHARMACEUTICAL CONTAINING SAME NATIONAL CENTER FOR GERIATRICS AND GERONTOLOGY (JP) 2018-03-15 US disclosed
EP-3275440-A1 NOVEL OXADIAZOLE DERIVATIVE AND PHARMACEUTICAL CONTAINING SAME National Center for Geriatrics and Gerontology (JP) 2018-01-31 EP disclosed
WO-2016153023-A1 NOVEL OXADIAZOLE DERIVATIVE AND PHARMACEUTICAL CONTAINING SAME 国立研究開発法人国立長寿医療研究センター 2016-09-29 WO disclosed
US-8729271-B2 Glycine transporter inhibiting substances TAISHO PHARMACEUTICAL CO., LTD (JP) 2014-05-20 US disclosed
US-20130184460-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-07-18 US disclosed
CN-101687869-A Tetracyclic lactam derivatives as MK2 inhibitors NOVARTIS AG 2010-03-31 CN disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 US disclosed
WO-2009010488-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS NOVARTIS AG (CH) 2009-01-22 WO disclosed
EP-1682508-A1 PHENYL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP disclosed
WO-2005049573-A1 PHENYL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO disclosed
EP-0544587-B1 Alpha-methylene-2-vinyl-benzeneacetic acid derivatives, process for their preparation and their use as pesticides ROUSSEL UCLAF (FR) 1996-05-29 EP disclosed
US-5310746-A Insecticides, miticides, nematocides ROUSSEL UCLAF (FR) 1994-05-10 US disclosed
EP-0544587-A1 Alpha-methylene-2-vinyl-benzeneacetic acid derivatives, process for their preparation and their use as pesticides ROUSSEL UCLAF (FR) 1993-06-02 EP disclosed
EP-0334911-A1 SUBSTITUTED PHENYLTRIFLUORMETHYLETHERS MERCK PATENT GmbH (DE) 1989-10-04 EP disclosed
WO-1989002884-A1 SUBSTITUTED PHENYLTRIFLUORMETHYLETHERS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-04-06 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 (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-20130184460-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES SLC1A2, SLC18A2, SLC6A1 ST14 1847/4885F2 594/4885PLAU 2582/4885
US-20180072708-A1 NOVEL OXADIAZOLE DERIVATIVE AND PHARMACEUTICAL CONTAINING SAME APP, BACE1, PSEN1 ST14 2716/4885F2 2146/4885PLAU 4226/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 ST14 1223/4885F2 633/4885PLAU 2799/4885

“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.