SCHEMBL3584124

SCHEMBL3584124

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
MAPT P10636 5/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PLK4 O00444 1/20 0.41
POLB P06746 1/20 0.41
AURKB Q96GD4 3/20 0.41
DGAT1 O75907 1/20 0.41
LIMK1 P53667 2/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
GPR35 Q9HC97 1/20 0.39
GAA P10253 1/20 0.39
KDR P35968 4/20 0.39
AURKA O14965 1/20 0.38

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
SCHEMBL3579750 0.89 DGAT1 (0.42) NPC1RAB9ADGAT1KDRABL1
SCHEMBL3573050 0.88 GRIK1 (0.41) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL3584115 0.88 PSEN1 (0.45) SMN1; SMN2NPC1RAB9AMAPTPOLB
SCHEMBL3573189 0.87 CNR1 (0.43) MEN1KMT2APLK4AURKBKDR
SCHEMBL3584713 0.85 MTOR (0.41) MAPTPLK4AURKBKDRABL1
SCHEMBL5467374 0.83 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL3577952 0.81 CNR1 (0.43) RAB9AMAPTHTTMEN1KMT2A
SCHEMBL3576183 0.81 KDR (0.44) MAPTPLK4AURKBKDRAURKA
SCHEMBL5474886 0.80 GRIK1 (0.44) SMN1; SMN2RAB9AMAPTHTTMEN1
SCHEMBL5950292 0.80 MAPT (0.43) SMN1; SMN2NPC1RAB9AMAPTHTT

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 SMN1; SMN2 2422/4885NPC1 808/4885RAB9A 3911/4885
US-20060178413-A1 Diphenylurea derivatives and their use as chloride channel blockers CLIC1, CLIC4, CLCN2 SMN1; SMN2 4510/4885NPC1 434/4885RAB9A 4081/4885

“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.