SCHEMBL3584115

SCHEMBL3584115

COc1ccc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(-c3nnn[nH]3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
IDH2 P48735 1/20 0.43
RUVBL1 Q9Y265 1/20 0.42
NTRK1 P04629 1/20 0.42
P2RX1 P51575 1/20 0.41
TMPRSS4 Q9NRS4 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
RAF1 P04049 1/20 0.41
KDR P35968 4/20 0.41
AKR1C3 P42330 1/20 0.41
P2RY1 P47900 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL3577239 0.91 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3579491 0.90 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3580763 0.89 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3584124 0.88 SMN1; SMN2 (0.46) NTRK1KDRMAPTFLT3SMN1; SMN2
SCHEMBL3574142 0.88 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3570022 0.86 KDR (0.45) NTRK1RAF1KDRMAPTTEK
SCHEMBL3573050 0.86 GRIK1 (0.41) ABCG2KDRMAPTSMN1; SMN2NPC1
SCHEMBL5476434 0.83 P2RX1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3584713 0.83 MTOR (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3577053 0.82 KDR (0.51) NTRK1RAF1KDRMAPTTEK

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.