SCHEMBL3574142

SCHEMBL3574142

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc(-c2ccc(Cl)cc2)cc1-c1nnn[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
KDR P35968 6/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
P2RX1 P51575 2/20 0.41
P2RX4 Q99571 2/20 0.41
P2RX7 Q99572 2/20 0.41
TMPRSS4 Q9NRS4 2/20 0.41
FLT3 P36888 2/20 0.41
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
MYLK Q15746 1/20 0.41
MAP4K5 Q9Y4K4 1/20 0.41
TEK Q02763 1/20 0.41
NTRK1 P04629 2/20 0.41

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
SCHEMBL3579491 0.93 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3576165 0.92 GRIK1 (0.48) KDRP2RX1P2RX4P2RX7TMPRSS4
SCHEMBL1463472 0.92 GRIK1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3581371 0.92 NTRK1 (0.53) KDRMEN1KMT2AFLT3IKBKB
SCHEMBL3580763 0.91 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3581506 0.90 MAPT (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3570022 0.88 KDR (0.45) KDRMEN1KMT2AFLT3IKBKB
SCHEMBL3581872 0.88 CNR1 (0.41) MEN1KMT2AGRIK1TRPV1RAF1
SCHEMBL3584115 0.88 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3577239 0.88 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070293553-A1 Diphenylurea Derivatives Useful As Potassium Channel Activators NEUROSEARCH A/S (DK) 2007-12-20 US claimed
US-20060178413-A1 Diphenylurea derivatives and their use as chloride channel blockers NEUSEARCH A/S (DK) 2006-08-10 US claimed
US-7691891-B2 Diphenylurea derivatives and their use as chloride channel blockers NEUROSEARCH A/S (DK) 2010-04-06 US disclosed
US-20070293553-A1 Diphenylurea Derivatives Useful As Potassium Channel Activators NEUROSEARCH A/S (DK) 2007-12-20 US disclosed
US-20060178413-A1 Diphenylurea derivatives and their use as chloride channel blockers NEUSEARCH A/S (DK) 2006-08-10 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-20070293553-A1 Diphenylurea Derivatives Useful As Potassium Channel Activators KCNJ2, KCNH2, KCNH3 PSEN1 467/4885PSEN2 667/4885APH1B 1980/4885
US-20060178413-A1 Diphenylurea derivatives and their use as chloride channel blockers CLIC1, CLIC4, CLCN2 PSEN1 3793/4885PSEN2 3846/4885APH1B 2393/4885

“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.