SCHEMBL3577239

SCHEMBL3577239

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
KDR P35968 4/20 0.41
EPHX2 P34913 1/20 0.41
P2RY1 P47900 3/20 0.41
IGF1R P08069 2/20 0.40
DGAT1 O75907 1/20 0.40
TEK Q02763 2/20 0.39
FLT3 P36888 1/20 0.39
STING1 Q86WV6 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
BRAF P15056 2/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
XBP1 P17861 1/20 0.37
SERPINE1 P05121 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
SCHEMBL3584115 0.91 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3579491 0.90 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3579750 0.90 DGAT1 (0.42) KDREPHX2P2RY1IGF1RDGAT1
SCHEMBL3582672 0.89 DGAT1 (0.42) KDREPHX2P2RY1IGF1RDGAT1
SCHEMBL3580763 0.89 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3574142 0.88 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3570022 0.86 KDR (0.45) KDRTEKFLT3TRPV1BRAF
SCHEMBL3325513 0.85 GSK3B (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5476434 0.83 P2RX1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3584713 0.83 MTOR (0.41) 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.