SCHEMBL3581070

SCHEMBL3581070

O=C(Nc1ccccc1F)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1-c1nnn[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.48
P2RY1 P47900 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAOB P27338 1/20 0.41
IGF1R P08069 3/20 0.41
KDR P35968 6/20 0.41
FLT3 P36888 5/20 0.41
KIT P10721 4/20 0.41
NTRK1 P04629 3/20 0.40
ABL1 P00519 2/20 0.40
LCK P06239 2/20 0.40
FYN P06241 2/20 0.40
CSF1R P07333 2/20 0.40
LYN P07948 2/20 0.40
SRC P12931 2/20 0.40
FLT1 P17948 2/20 0.40
FLT4 P35916 2/20 0.40
BLK P51451 2/20 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
SCHEMBL3575221 0.90 ALDH1A1 (0.43) KIF11RAB9AKDRFLT3KIT
SCHEMBL3575264 0.90 RAB9A (0.48) NPC1RAB9ASMN1; SMN2KDRFLT3
SCHEMBL3574323 0.89 KIF11 (0.40) KIF11P2RY1NPC1RAB9ASMN1; SMN2
SCHEMBL3584913 0.89 KDR (0.47) KIF11RAB9ASMN1; SMN2KDRNTRK1
SCHEMBL3573165 0.88 KDM4E (0.51) NPC1RAB9ASMN1; SMN2KDRFLT3
SCHEMBL3584536 0.88 MAPT (0.45) NPC1RAB9ASMN1; SMN2KDRFLT3
SCHEMBL3584713 0.86 MTOR (0.41) KIF11IGF1RKDRFLT3KIT
SCHEMBL3579491 0.86 PSEN1 (0.47) KIF11KDRFLT3KITNTRK1
SCHEMBL3577053 0.85 KDR (0.51) RAB9AKDRFLT3KITNTRK1
SCHEMBL3584463 0.85 KDR (0.47) KIF11KDRFLT3KITNTRK1

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 KIF11 2164/4885P2RY1 182/4885NPC1 808/4885
US-20060178413-A1 Diphenylurea derivatives and their use as chloride channel blockers CLIC1, CLIC4, CLCN2 KIF11 3676/4885P2RY1 99/4885NPC1 434/4885

“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.