SCHEMBL4882890

SCHEMBL4882890

Cc1cccc(F)c1N=C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.47
GABRB2 P47870 1/20 0.47
CYP3A4 P08684 2/20 0.45
ACHE P22303 1/20 0.43
TRPA1 O75762 1/20 0.36
MEN1 O00255 1/20 0.34
HSP90AA1 P07900 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HDAC4 P56524 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
GRIN2D O15399 1/20 0.31

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
SCHEMBL162206 0.85 GABRA1 (0.50) GABRA1GABRB2CYP3A4ALDH1A1CES2
SCHEMBL374209 0.85 GABRA1 (0.56) GABRA1GABRB2CYP3A4ACHETRPA1
SCHEMBL15589311 0.80 GABRA1 (0.46) GABRA1GABRB2CYP3A4ACHEMEN1
SCHEMBL1133364 0.79 GABRA1 (0.50) GABRA1GABRB2CYP3A4ACHETRPA1
SCHEMBL28201284 0.79 GABRA1 (0.50) GABRA1GABRB2CYP3A4ACHETRPA1
SCHEMBL30520271 0.78 CYP3A4 (0.63) GABRA1GABRB2CYP3A4ACHETRPA1
SCHEMBL20145 0.78 CYP3A4 (0.63) GABRA1GABRB2CYP3A4ACHETRPA1
SCHEMBL9630070 0.78 CYP3A4 (0.52) GABRA1GABRB2CYP3A4TRPA1ALDH1A1
SCHEMBL30625397 0.78 CYP3A4 (0.52) GABRA1GABRB2CYP3A4TRPA1ALDH1A1
SCHEMBL10614854 0.77 GABRA1 (0.75) GABRA1GABRB2CYP3A4LMNAALDH1A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2841433-B1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL CO (JP) 2017-06-21 EP disclosed
US-9380782-B2 Tetrazolinone compounds and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-05 US disclosed
EP-2841433-A1 TETRAZOLINONE COMPOUNDS AND ITS USE Sumitomo Chemical Company Limited (JP) 2015-03-04 EP disclosed
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-29 US disclosed
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 US disclosed
WO-2013162077-A1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-10-31 WO disclosed
CN-101378757-B Thiadiazole derivatives for the treatment of neuro degenerative diseases REMYND NV 2012-08-01 CN disclosed
CN-101378757-A Thiadiazole derivatives for the treatment of neuro degenerative diseases REMYND NV (BE) 2009-03-04 CN disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 US disclosed
EP-0217787-A4 AMIDINOUREA PROCESS AND PHARMACEUTICAL COMPOSITION. RORER INTERNAT OVERSEAS INC (US) 1988-07-21 EP disclosed
EP-0217787-A1 AMIDINOUREA PROCESS AND PHARMACEUTICAL COMPOSITION RORER INTERNATIONAL (OVERSEAS) INC. (a Delaware corporation) (US) 1987-04-15 EP disclosed
WO-1986004935-A1 AMIDINOUREA PROCESS AND PHARMACEUTICAL COMPOSITION RORER INTERNATIONAL (OVERSEAS) INC. (US) 1986-08-28 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 (2 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-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone MIF, CCL5, CCR2 GABRA1 1975/4885GABRB2 2934/4885CYP3A4 916/4885
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE CBR3, CYP51A1, CYP8B1 GABRA1 2321/4885GABRB2 3093/4885CYP3A4 35/4885

“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.