SCHEMBL3580593

SCHEMBL3580593

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.48
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
GAA P10253 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TRPV1 Q8NER1 2/20 0.40
TP53 P04637 1/20 0.40
KDR P35968 2/20 0.39
FLT3 P36888 2/20 0.39
DDX3X O00571 1/20 0.39
PLK4 O00444 1/20 0.39
ROCK2 O75116 1/20 0.39
MAP4K4 O95819 1/20 0.39
LCK P06239 1/20 0.39
CSF1R P07333 1/20 0.39
ROS1 P08922 1/20 0.39
FGFR1 P11362 1/20 0.39
FLT1 P17948 1/20 0.39

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 0.91 ALDH1A1 (0.43) GRIK1ALDH1A1TSHRGAAKMT2A
SCHEMBL3575221 0.91 ALDH1A1 (0.43) GRIK1ALDH1A1TSHRKMT2AMEN1
SCHEMBL3578975 0.90 ALDH1A1 (0.47) GRIK1ALDH1A1TSHRKMT2AMEN1
SCHEMBL3573165 0.87 KDM4E (0.51) GRIK1GAAKMT2AMEN1KDM4E
SCHEMBL3583939 0.87 KDM4E (0.49) GRIK1ALDH1A1GAAKMT2AMEN1
SCHEMBL3579515 0.86 KDR (0.47) KDRFLT3LCKCSF1RFGFR1
SCHEMBL3577666 0.86 KDR (0.52) TRPV1KDR
SCHEMBL3581312 0.85 CXCR2 (0.50) GRIK1ALDH1A1GAAKMT2AMEN1
SCHEMBL3584913 0.84 KDR (0.47) ALDH1A1GAAKMT2AMEN1KDM4E
SCHEMBL3574142 0.84 PSEN1 (0.44) GRIK1KMT2AMEN1TRPV1KDR

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 GRIK1 216/4885ALDH1A1 418/4885TSHR 4041/4885
US-20060178413-A1 Diphenylurea derivatives and their use as chloride channel blockers CLIC1, CLIC4, CLCN2 GRIK1 2063/4885ALDH1A1 1167/4885TSHR 2541/4885

“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.