SCHEMBL18579481

SCHEMBL18579481

O=C(O)Nc1ccc(C=Cc2ncn(-c3ccc(OC(F)(F)F)cn3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
EPHX2 P34913 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MCHR1 Q99705 5/20 0.37
MAPT P10636 3/20 0.37
HTR2C P28335 1/20 0.37
KCNH2 Q12809 1/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NR3C1 P04150 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL18579478 1.00 LMNA (0.47) LMNAKMT2AMEN1CA12CA1
SCHEMBL18579199 0.89 LMNA (0.39) LMNAKMT2AMEN1MCHR1MAPT
SCHEMBL18579195 0.89 LMNA (0.39) LMNAKMT2AMEN1MCHR1MAPT
SCHEMBL18591549 0.88 LMNA (0.44) LMNAKMT2AMEN1CA12CA1
SCHEMBL28625058 0.88 LMNA (0.44) LMNAKMT2AMEN1CA12CA1
SCHEMBL18579382 0.87 EPHX2 (0.43) LMNAKMT2AMEN1CA12CA1
SCHEMBL18579381 0.87 EPHX2 (0.43) LMNAKMT2AMEN1CA12CA1
SCHEMBL28628307 0.84 LMNA (0.38) LMNACA12CA1CA2CA9
SCHEMBL28628308 0.84 LMNA (0.38) LMNACA12CA1CA2CA9
SCHEMBL18579429 0.82 LMNA (0.34) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3344339-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow AgroSciences LLC (US) 2018-07-11 EP disclosed
US-9661854-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-05-30 US disclosed
US-20170064962-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-03-09 US disclosed
WO-2017040742-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-03-09 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 (1 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-20170064962-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MLYCD LMNA 3364/4885KMT2A 2615/4885MEN1 1180/4885

“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.