SCHEMBL4604479

SCHEMBL4604479

CC(=O)Nc1ccc(Br)c(NC(=O)NCCCCNCCc2ccc(F)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.48
KMT2A Q03164 2/20 0.47
FPR2 P25090 1/20 0.46
CNR1 P21554 1/20 0.46
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GAA P10253 1/20 0.45
PRMT3 O60678 1/20 0.44
GFER P55789 1/20 0.44

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
SCHEMBL4604475 0.83 CCR3 (0.58) SLC6A3KMT2APRMT3
SCHEMBL4900580 0.78 CNR1 (0.60) SLC6A3KMT2AFPR2CNR1RAB9A
SCHEMBL4605025 0.72 KMT2A (0.50) SLC6A3KMT2AFPR2CNR1RAB9A
SCHEMBL4607225 0.71 CCR3 (0.62) SLC6A3KMT2ACNR1
SCHEMBL11639507 0.70 RXFP1 (0.51) KMT2ARAB9ANPC1MAPTCYP1A2
SCHEMBL4881257 0.67 HDAC3 (0.49) KMT2ARAB9ANPC1MAPTCYP2D6
SCHEMBL4891370 0.67 KMT2A (0.45) KMT2AFPR2CNR1RAB9ANPC1
SCHEMBL7566619 0.67 MAPT (0.81) KMT2AFPR2CNR1RAB9ANPC1
SCHEMBL27740395 0.66 TDP1 (0.48) KMT2ARAB9ANPC1MAPTCYP1A2
SCHEMBL16946646 0.66 CNR1 (0.74) KMT2AFPR2CNR1RAB9ANPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306067-A1 Modulators of Chemokine Receptor Activity WEIGAND KLAUS 2008-12-11 US disclosed
EP-1943235-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Novartis AG (CH) 2008-07-16 EP disclosed
WO-2007048771-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY NOVARTIS AG (CH) 2007-05-03 WO 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 (1 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-20080306067-A1 Modulators of Chemokine Receptor Activity CCR3, CCR1, CCR4 SLC6A3 4291/4885KMT2A 4826/4885FPR2 45/4885

“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.