SCHEMBL2353404

SCHEMBL2353404

O=C(O)c1cnc(C(F)(F)F)nc1-c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 4/20 0.40
KDM6B O15054 1/20 0.40
KDM4A O75164 1/20 0.40
KDM5C P41229 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM2A Q9Y2K7 1/20 0.40
KDM3A Q9Y4C1 1/20 0.40
GLA P06280 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
TGFBR1 P36897 1/20 0.39
KMT2A Q03164 2/20 0.38
EGLN1 Q9GZT9 1/20 0.38
MEN1 O00255 1/20 0.38
BLM P54132 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
PIN1 Q13526 1/20 0.38
KMO O15229 1/20 0.37
NAPRT Q6XQN6 1/20 0.37

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
SCHEMBL13074866 0.81 FOS (0.50) LMNAKDM4ETGFBR1KMT2AMEN1
SCHEMBL2353407 0.80 BLM (0.38) LMNAKDM4EKDM6BKDM4AKDM5C
SCHEMBL5265077 0.79 TAS2R14 (0.47) DHODHKDM4EKDM6BKDM4AKDM5C
SCHEMBL29101612 0.78 KDM4E (0.44) DHODHLMNAKDM4ETDP1TGFBR1
SCHEMBL30605098 0.78 KDM4E (0.44) DHODHLMNAKDM4ETDP1TGFBR1
SCHEMBL8518595 0.78 DHODH (0.45) DHODHLMNAKDM4EKDM6BKDM4A
SCHEMBL18256693 0.76 CYP1A2 (0.40) LMNAKDM4EGLATGFBR1KMT2A
SCHEMBL3216443 0.75 GLA (0.61) DHODHLMNAKDM4EKDM6BKDM4A
Trifluoroacetic Acid SCHEMBL29693943 0.72 KDM4E (0.59) DHODHLMNAKDM4EKDM6BKDM4A
SCHEMBL17393140 0.72 PDE4B (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2352723-B1 PESTICIDAL N-ARYL- OR N-HETEROARYL PYRAZOLE CARBOXAMIDE COMPOUNDS BAYER IP GMBH (DE) 2016-11-23 EP disclosed
US-20150099766-A1 Novel halogen-substituted compounds BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-09 US disclosed
US-20150099766-A1 Novel halogen-substituted compounds BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-09 US disclosed
US-20150099766-A1 Novel halogen-substituted compounds BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-09 US disclosed
US-8946234-B2 Halogen-substituted compounds BAYER CROPSCIENCE AG (DE) 2015-02-03 US disclosed
US-8946234-B2 Halogen-substituted compounds BAYER CROPSCIENCE AG (DE) 2015-02-03 US disclosed
US-8946234-B2 Halogen-substituted compounds BAYER CROPSCIENCE AG (DE) 2015-02-03 US disclosed
CN-102317263-A Halogen substituted compounds as pesticides BAYER CROPSCIENCE AG 2012-01-11 CN disclosed
US-20110301181-A1 halogen-substituted compounds BAYER CROPSCIENCE AG (DE) 2011-12-08 US disclosed
US-20110301181-A1 halogen-substituted compounds BAYER CROPSCIENCE AG (DE) 2011-12-08 US disclosed
US-20110301181-A1 halogen-substituted compounds BAYER CROPSCIENCE AG (DE) 2011-12-08 US disclosed
EP-2352723-A2 HALOGEN-SUBSTITUTED COMPOUNDS USED AS PESTICIDES Bayer CropScience AG (DE) 2011-08-10 EP disclosed
WO-2010133312-A1 HALOGEN-SUBSTITUTED COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-11-25 WO disclosed
WO-2010051926-A2 NEW HALOGEN-SUBSTITUTED BONDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-05-14 WO disclosed
WO-2010051926-A2 NEW HALOGEN-SUBSTITUTED BONDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-05-14 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-20110301181-A1 halogen-substituted compounds L3MBTL4, QSOX1, L3MBTL3 DHODH 3595/4885LMNA 209/4885KDM4E 2403/4885
US-20150099766-A1 Novel halogen-substituted compounds L3MBTL4, PRDX4, PRDX1 DHODH 3893/4885LMNA 626/4885KDM4E 1987/4885

“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.