SCHEMBL1834249

SCHEMBL1834249

Cc1cc(-n2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cn2)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NTRK1 P04629 1/20 0.40
FLT3 P36888 1/20 0.40
EPHX2 P34913 1/20 0.39
GRM4 Q14833 2/20 0.37
RIPK2 O43353 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
RAD52 P43351 1/20 0.36
IKBKB O14920 1/20 0.35
ABL1 P00519 4/20 0.35
BCR P11274 3/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 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
SCHEMBL2889321 0.77 RAD52 (0.38) NPC1RAB9AMEN1KMT2AEPHX2
SCHEMBL1832898 0.77 KCNH2 (0.46) MEN1KMT2AMAPTKCNH2LMNA
SCHEMBL27642912 0.71 EPHX2 (0.46) NPC1RAB9AMEN1KMT2ANTRK1
SCHEMBL11899335 0.70 EPHX2 (0.51) NPC1RAB9AMEN1KMT2ANTRK1
SCHEMBL23154057 0.69 EPHX2 (0.42) NPC1RAB9AMEN1KMT2ANTRK1
SCHEMBL23154055 0.68 EPHX2 (0.41) NPC1RAB9AMEN1KMT2ANTRK1
SCHEMBL23144557 0.68 NTRK1 (0.57) NPC1RAB9AMEN1KMT2ANTRK1
SCHEMBL29664342 0.68 NTRK1 (0.57) NPC1RAB9AMEN1KMT2ANTRK1
SCHEMBL13942073 0.68 LOXL2 (0.51) FLT3ABL1KCNH2LCKFYN
SCHEMBL2887846 0.68 KDM4E (0.39) NPC1RAB9AMEN1KMT2AMAPT

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-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
EP-2318374-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE Bayer CropScience AG (DE) 2011-05-11 EP disclosed
WO-2010012442-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-02-04 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-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative DDT, BRD9, BCL2A1 NPC1 2992/4885RAB9A 405/4885MEN1 4180/4885

“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.