SCHEMBL261330

SCHEMBL261330

FC(F)(F)Oc1cc(Cl)[c]c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 5/20 0.36
NOTUM Q6P988 1/20 0.35
GRIN2B Q13224 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
KIF11 P52732 1/20 0.32
MAPT P10636 1/20 0.31
EPHX2 P34913 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
MPI P34949 1/20 0.31
CES1 P23141 1/20 0.31
CNR1 P21554 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
NPC1 O15118 1/20 0.30
GMNN O75496 1/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL7823502 0.87 GPR3 (0.32) GPR3NOTUM
SCHEMBL7024699 0.86 GPR3 (0.32) GPR3NOTUMHDAC3HDAC1HDAC2
SCHEMBL698159 0.86 GPR3 (0.33) GPR3NOTUM
SCHEMBL1040929 0.76 GPR3 (0.41) GPR3NOTUMGRIN2BAKR1C2AKR1C1
SCHEMBL1921486 0.75 NOTUM (0.47) GPR3NOTUMGRIN2BAKR1C2AKR1C1
SCHEMBL407097 0.74 GPR3 (0.40) GPR3NOTUMGRIN2BAKR1C2AKR1C1
SCHEMBL1024765 0.73 GPR3 (0.38) GPR3KIF11MAPTEPHX2CES1
SCHEMBL2253244 0.73 GPR3 (0.38) GPR3AKR1C2AKR1C1KIF11MAPT
SCHEMBL7928085 0.73 ALDH1A1 (0.39) GPR3NOTUMGRIN2BAKR1C2AKR1C1
SCHEMBL1024313 0.73 TRPA1 (0.33) GPR3NOTUMHDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116891466-A Pyrazole-containing dithiazole carboxamide derivative and preparation method and application thereof 南开大学 2023-10-17 CN claimed
CN-114213353-A Aryl-oxazole-oxazoline compound and preparation method and application thereof 贵州大学 2022-03-22 CN claimed
EP-2220056-B1 HERBICIDAL COMPOUNDS SYNGENTA LTD (GB) 2015-09-30 EP claimed
US-8217055-B2 Pyrido-pyrazine derivatives useful as herbicidal compounds SYNGENTA CROP PROTECTION LLC (US) 2012-07-10 US claimed
US-8133849-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2012-03-13 US claimed
US-8026248-B2 4-[[4-[(2,6-dichloro-phenyl)methyl]-6-[[2-(1-pyrrolidinyl)ethyl]amino]-2-pyrimidinyl]amino]benzonitrile; 4-[[4-[(2,4,6-trimethylphenyl)amino]-2-pyrimidinyl]amino]benzamide, N1-oxide combined with another retrovirus inhibitor; viricides; treatment of AIDS JANSSEN PHARMACEUTICA N.V. (BE) 2011-09-27 US claimed
EP-1245567-B1 HIV inhibiting pyrimidine derivatives JANSSEN PHARMACEUTICA NV (BE) 2011-03-02 EP claimed
US-20100144674-A1 PYRIDAZINE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2010-06-10 US claimed
US-20100113457-A1 NOVEL PYRIDAZINE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2010-05-06 US claimed
US-20100022526-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-01-28 US claimed
US-5236938-A Pesticidal 1-aryl-5-(substituted alkylideneimino)pyrazoles RHONE-POULENC INC. (US) 1993-08-17 US claimed
US-5232940-A Controlling insects, plant nematodes, helminths, protozoa BASF AGRO B.V., ARNHEM (NL), WADENSWIL-BRANCH (CH) 1993-08-03 US claimed
US-5177100-A Pesticides RHONE-POULENC AGRICULTURE LTD. (GB) 1993-01-05 US claimed
EP-0511845-A1 Pesticidal 1-aryl-5-(substituted alkylideneimino)-pyrazoles RHONE-POULENC AGROCHIMIE (FR) 1992-11-04 EP claimed
US-5109012-A 2-IMIDAZOL(IN)E SUBSTITUTED ARYL-1,2,3-TRIAZOLE PESTICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-04-28 US claimed
US-4963575-A INSECTICIDES, PESTICIDES, PARASITICIDES ANTIPROTOZOA AGENTS, NEMATOCIDES MAY & BAKER LTD. (GB) 1990-10-16 US claimed
EP-0352944-A1 Derivatives of N-phenylpyrazoles RHONE-POULENC AGRICULTURE LIMITED (GB) 1990-01-31 EP claimed
EP-0295117-A1 Derivatives of N-phenylpyrazoles RHONE-POULENC AGRICULTURE LIMITED (GB) 1988-12-14 EP claimed
US-4774254-A INSECTICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1988-09-27 US claimed
EP-0243636-A1 1-Aryl-4-trifluoromethyl-5-amino pyrazoles as pesticides BAYER AG (DE) 1987-11-04 EP claimed

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-20100113457-A1 NOVEL PYRIDAZINE DERIVATIVES C3AR1, C5, C1S GPR3 1270/4885NOTUM 1923/4885GRIN2B 2552/4885
US-20100022526-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES CYP4Z1, CYP1A2, CYP1A1 GPR3 2202/4885NOTUM 2182/4885GRIN2B 1861/4885
US-20100144674-A1 PYRIDAZINE DERIVATIVES C3AR1, C1S, CBR3 GPR3 1324/4885NOTUM 1182/4885GRIN2B 2726/4885

“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.