SCHEMBL4284574

SCHEMBL4284574

Clc1[c]cccc1-c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.48
CCR5 P51681 3/20 0.48
CCR8 P51685 3/20 0.48
KDM4E B2RXH2 6/20 0.48
LMNA P02545 3/20 0.48
METAP1 P53582 2/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
BLM P54132 1/20 0.48
HIF1A Q16665 1/20 0.48
DOHH Q9BU89 1/20 0.48
P4HTM Q9NXG6 1/20 0.48
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
TP53 P04637 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
ALOX15 P16050 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL3363096 0.81 KDM4E (0.48) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL2651774 0.79 KDM4E (0.46) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL15637707 0.78 CASP6 (0.35) CCR1CCR5CCR8L3MBTL1GRM5
SCHEMBL7571214 0.77 KDM4E (0.43) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL5584101 0.76 IDO1 (0.32)
SCHEMBL858806 0.76 KDM4E (0.72) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL9957877 0.76 KDM4E (0.46) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL15173540 0.76 CCR1 (0.47) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL550149 0.75 GRM5 (0.59) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL2646186 0.75 KDM4E (0.42) CCR1CCR5CCR8KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903440-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES Bayer CropScience AG (DE) 2015-08-12 EP disclosed
WO-2014053450-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2014-04-10 WO disclosed
EP-2397462-A2 Compounds, compositions and methods of treatment for heart failure Cytokinetics, Inc. (US) 2011-12-21 EP disclosed
US-20090176307-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-07-09 US disclosed
US-7491826-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 US disclosed
US-20060241110-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2006-10-26 US disclosed
US-20050159416-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2005-07-21 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-20060241110-A1 Compounds, compositions, and methods TNNI3, TNNT2, TNNC1 CCR1 4649/4885CCR5 4508/4885CCR8 4688/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 CCR1 4660/4885CCR5 4472/4885CCR8 4709/4885

“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.