SCHEMBL12489682

SCHEMBL12489682

O=C1c2ccccc2C(=O)N1Cc1cccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
HPGD P15428 1/20 0.39
PRKDC P78527 2/20 0.38
CASP6 P55212 1/20 0.38
TYR P14679 1/20 0.38
ORAI1 Q96D31 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
CASP3 P42574 1/20 0.36
ADRA1D P25100 4/20 0.35
ADRA1A P35348 4/20 0.35
ADRA1B P35368 4/20 0.35
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL1860093 0.92 PKM (0.38) KMT2APRKDCSMN1; SMN2PKMTSHR
SCHEMBL1305247 0.85 GRM5 (0.33) MAPTKMT2ATYRSMN1; SMN2PKM
SCHEMBL12409136 0.84 KDM4E (0.41) KDM4EMAPTMAPK1KMT2AMEN1
Hydrochloric Acid SCHEMBL2045087 0.80 ORAI1 (0.35) KDM4EMAPTORAI1
SCHEMBL27964629 0.79 ORAI1 (0.34) KDM4EMAPTORAI1
SCHEMBL981067 0.79 MAPT (0.34) MAPTMAPK1KMT2ATYRSMN1; SMN2
SCHEMBL3695100 0.78 RECQL (0.44) KDM4EMAPTORAI1SMN1; SMN2PKM
SCHEMBL2038180 0.77 SYK (0.42) MAPTKMT2AMEN1HPGDORAI1
SCHEMBL1466705 0.76 DDB1 (0.33) ORAI1TSHR
SCHEMBL1860700 0.76 AKR1B1 (0.33) MAPTMAPK1TYRSMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130137876-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PEST CONTROL AGENT NIPPON SODA CO., LTD. (JP) 2013-05-30 US disclosed
US-8362257-B2 Nitrogen-containing heterocyclic compound and pest control agent NIPPON SODA CO., LTD. (JP) 2013-01-29 US disclosed
US-20110166358-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PEST CONTROL AGENT NIPPON SODA CO., LTD. (JP) 2011-07-07 US 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-20130137876-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PEST CONTROL AGENT CBR3, CBR1, NOXO1 KDM4E 1194/4885MAPT 4670/4885MAPK1 2120/4885
US-20110166358-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PEST CONTROL AGENT CBR3, CBR1, NOXO1 KDM4E 1194/4885MAPT 4670/4885MAPK1 2120/4885

“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.