SCHEMBL12468342

SCHEMBL12468342

C=C(NC(=O)c1cc(Cl)c2ccccc2c1OCc1ccc(Br)cn1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.34
DRD2 P14416 1/20 0.34
RAB9A P51151 2/20 0.34
S1PR2 O95136 2/20 0.33
S1PR4 O95977 2/20 0.33
S1PR3 Q99500 2/20 0.33
NPC1 O15118 1/20 0.33
LRRK2 Q5S007 2/20 0.33
MAPT P10636 4/20 0.32
KMT2A Q03164 2/20 0.32
RECQL P46063 2/20 0.32
POLB P06746 2/20 0.32
GAA P10253 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL12468208 0.86 RPS6KA3 (0.40) MAPTKMT2APOLBGAAKDM4E
SCHEMBL485887 0.82 KDM4E (0.53) DRD3DRD2RAB9ANPC1MAPT
SCHEMBL12466956 0.80 RAB9A (0.38) DRD3DRD2RAB9ANPC1KMT2A
SCHEMBL485344 0.69 KDM4E (0.52) MAPTPOLBGAAKDM4EALDH1A1
SCHEMBL485491 0.67 CXCR2 (0.44) MAPTPOLBGAAKDM4EALDH1A1
SCHEMBL485826 0.67 MRGPRX4 (0.51) MAPTKMT2APOLBGAA
SCHEMBL5179412 0.66 KDM4E (0.53) DRD3DRD2RAB9ANPC1POLB
SCHEMBL485363 0.66 KDM4E (0.55) DRD3DRD2KMT2AKDM4EHPGD
SCHEMBL484141 0.65 KDM4E (0.53) DRD3DRD2MAPTKDM4EALDH1A1
SCHEMBL485638 0.65 KDM4E (0.53) NPC1MAPTKMT2AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283479-B2 CXCR2 inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-10-09 US disclosed
US-20110184177-A1 CXCR2 INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-07-28 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 (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-20110184177-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 DRD3 1576/4885DRD2 1225/4885RAB9A 1404/4885

“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.