SCHEMBL3575221

SCHEMBL3575221

O=C(Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1-c1nnn[nH]1)Nc1ccccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KIF11 P52732 1/20 0.41
DDX3X O00571 3/20 0.40
GRIK1 P39086 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
KDR P35968 2/20 0.39
FLT3 P36888 2/20 0.39
KIT P10721 1/20 0.39
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
HDAC2 Q92769 1/20 0.38
DGAT1 O75907 1/20 0.38
TP53 P04637 1/20 0.38
PLK4 O00444 1/20 0.38
ROCK2 O75116 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
SCHEMBL3584332 0.92 ALDH1A1 (0.43) ALDH1A1TSHRKDM4EMEN1KMT2A
SCHEMBL3580593 0.91 GRIK1 (0.48) ALDH1A1TSHRKDM4EMEN1KMT2A
SCHEMBL3578975 0.91 ALDH1A1 (0.47) ALDH1A1TSHRKDM4EMEN1KMT2A
SCHEMBL3581070 0.90 KIF11 (0.48) KDM4EKIF11KDRFLT3KIT
SCHEMBL3574323 0.89 KIF11 (0.40) MEN1KMT2AKIF11TRPV1MAPT
SCHEMBL3584913 0.89 KDR (0.47) ALDH1A1KDM4EMEN1KMT2AKIF11
SCHEMBL3579491 0.86 PSEN1 (0.47) KIF11TRPV1KDRFLT3KIT
SCHEMBL3577053 0.85 KDR (0.51) MEN1KMT2AGRIK1KDRFLT3
SCHEMBL3584463 0.85 KDR (0.47) KIF11KDRFLT3KITLCK
SCHEMBL1462366 0.85 ALDH1A1 (0.46) ALDH1A1TSHRKDM4EMEN1KMT2A

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 ALDH1A1 418/4885TSHR 4041/4885KDM4E 604/4885
US-20060178413-A1 Diphenylurea derivatives and their use as chloride channel blockers CLIC1, CLIC4, CLCN2 ALDH1A1 1167/4885TSHR 2541/4885KDM4E 2482/4885

“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.