SCHEMBL3577178

SCHEMBL3577178

O=C(Nc1ccccc1Br)Nc1ccc(-c2ccc(F)cc2)cc1-c1nnn[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.44
CXCR1 P25024 5/20 0.41
CXCR2 P25025 6/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.38
ADRB3 P13945 1/20 0.38
TSPO P30536 1/20 0.38
SLC6A3 Q01959 1/20 0.38
PLK4 O00444 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
SCHEMBL3583514 0.90 RAB9A (0.43) HTTCXCR1CXCR2MEN1KMT2A
SCHEMBL3581312 0.90 CXCR2 (0.50) HTTCXCR1CXCR2MEN1KMT2A
SCHEMBL3575264 0.89 RAB9A (0.48) HTTMEN1KMT2ARAB9ANPC1
SCHEMBL3574323 0.89 KIF11 (0.40) HTTCXCR1CXCR2MEN1KMT2A
SCHEMBL3577192 0.88 KDM4E (0.40) HTTMEN1KMT2ARAB9ANPC1
SCHEMBL3584332 0.86 ALDH1A1 (0.43) MEN1KMT2ALMNAGAAMAPT
SCHEMBL1463379 0.85 CXCR1 (0.49) HTTCXCR1CXCR2MEN1KMT2A
SCHEMBL3584536 0.81 MAPT (0.45) HTTMEN1KMT2ARAB9ANPC1
SCHEMBL3577952 0.81 CNR1 (0.43) HTTMEN1KMT2ARAB9ALMNA
SCHEMBL3573165 0.81 KDM4E (0.51) HTTMEN1KMT2ARAB9ANPC1

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 HTT 1128/4885CXCR1 4667/4885CXCR2 4088/4885
US-20060178413-A1 Diphenylurea derivatives and their use as chloride channel blockers CLIC1, CLIC4, CLCN2 HTT 1057/4885CXCR1 4186/4885CXCR2 2309/4885

“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.