SCHEMBL5222697

SCHEMBL5222697

N#Cc1cc(F)cc(C(=O)Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45

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
SCHEMBL5222486 0.86 GSK3B (0.40)
SCHEMBL11875236 0.86 GSK3B (0.40)
SCHEMBL505097 0.82 HCAR1 (0.53) CES2CES1
SCHEMBL2825638 0.81 PARP1 (0.46) CES2CES1
SCHEMBL20560236 0.81 VNN1 (0.40)
Hydrochloric Acid SCHEMBL6524503 0.81 HCAR1 (0.52) CES2CES1
SCHEMBL1764880 0.81 VNN1 (0.46)
SCHEMBL10596241 0.81 CES2 (0.45) CES2CES1
SCHEMBL114867 0.79 CES2 (0.62) CES2CES1
SCHEMBL2293145 0.79 CES2 (0.55) CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108698982-B Fluorine atom-containing compound and use thereof 日产化学工业株式会社 2021-07-16 CN disclosed
EP-3404017-B1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF NISSAN CHEMICAL IND LTD (JP) 2020-05-13 EP disclosed
US-10590287-B2 Charge-transporting varnish and organic electroluminescent element NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2020-03-17 US disclosed
EP-3252840-B1 VARNISH FOR FORMATION OF CHARGE-TRANSPORTING THIN FILM NISSAN CHEMICAL CORP (JP) 2020-03-11 EP disclosed
CN-107710440-B Charge-transporting varnish and organic electroluminescent element 日产化学工业株式会社 2019-12-24 CN disclosed
CN-106132923-B Oligoaniline derivative, charge-transporting varnish and organic electroluminescent device 日产化学工业株式会社 2019-11-15 CN disclosed
CN-107210377-B Varnish for forming charge-transporting thin film 日产化学工业株式会社 2019-07-05 CN disclosed
US-10336686-B2 Fluorine atom-containing compound and use thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-07-02 US disclosed
US-10301484-B2 Varnish for formation of charge-transporting thin film NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-05-28 US disclosed
US-20190031600-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-01-31 US disclosed
CN-1649865-A Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMA INC (US) 2005-08-03 CN disclosed
US-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. 2005-07-14 US disclosed
EP-1379525-A2 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2004-01-14 EP disclosed
US-6660753-B2 For therapy of stroke, head trauma, anoxic injury, ischemic injury, hypoglycemia, epilepsy, pain, migraine headaches, Parkinson's disease, senile dementia, Huntington's Chorea, anxiety, and Alzheimer's disease NPS PHARMACEUTICALS, INC. 2003-12-09 US disclosed
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2003-03-20 US disclosed
WO-2002068417-A3 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS SLASSI ABDELMALIK (CA) 2002-11-14 WO disclosed
CN-1379775-A Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMA INC (US) 2002-11-13 CN disclosed
WO-2002068417-A2 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2002-09-06 WO disclosed
EP-1210344-A1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2002-06-05 EP disclosed
WO-2001012627-A1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2001-02-22 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 (5 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-10336686-B2 Fluorine atom-containing compound and use thereof ARF1, ARF5, ARFGAP1 CES2 2869/4885CES1 4049/4885
US-10590287-B2 Charge-transporting varnish and organic electroluminescent element SLCO4C1, SLCO2A1, SLC26A3 CES2 398/4885CES1 1582/4885
US-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 CES2 1108/4885CES1 2945/4885
US-20190031600-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF ARF1, ARF5, ARFGAP1 CES2 2869/4885CES1 4049/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 CES2 1108/4885CES1 2945/4885

“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.