SCHEMBL4309243

SCHEMBL4309243

Oc1cc(CCl)nc(-c2ccccn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.50
CCR5 P51681 3/20 0.50
CCR8 P51685 3/20 0.50
KDM4E B2RXH2 5/20 0.45
LMNA P02545 3/20 0.45
METAP1 P53582 2/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
BLM P54132 1/20 0.45
HIF1A Q16665 1/20 0.45
DOHH Q9BU89 1/20 0.45
P4HTM Q9NXG6 1/20 0.45
TP53 P04637 2/20 0.44
ALOX15 P16050 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALPL P05186 1/20 0.44
HSP90AA1 P07900 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
SCHEMBL4300914 0.85 CCR1 (0.47) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL4240346 0.82 CCR1 (0.64) CCR1CCR5CCR8KDM4ELMNA
Hydrochloric Acid SCHEMBL2535113 0.81 CCR1 (0.62) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL4307526 0.79 CCR1 (0.38) CCR1CCR5CCR8CYP1A2SMN1; SMN2
SCHEMBL2720567 0.78 KDM4E (0.63) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL4313093 0.77 MAPT (0.41) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL1271803 0.76 KDM4E (0.52) CCR1CCR5CCR8KDM4EMETAP1
SCHEMBL4309068 0.75 ALDH1A1 (0.38) KDM4ENPC1RAB9AALDH1A1
SCHEMBL11016110 0.75 KDM4E (0.50) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL14801936 0.75 CCR1 (0.55) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090044345-A1 Use of Metal Complex Compounds as Oxidation Catalysts CIBA CORP. 2009-02-19 US disclosed
US-20090044345-A1 Use of Metal Complex Compounds as Oxidation Catalysts CIBA CORP. 2009-02-19 US disclosed
US-20090044345-A1 Use of Metal Complex Compounds as Oxidation Catalysts CIBA CORP. 2009-02-19 US disclosed
EP-1981635-A1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS Ciba Holding Inc. (CH) 2008-10-22 EP disclosed
WO-2007090461-A1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS CIBA HOLDING INC. (CH) 2007-08-16 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-20090044345-A1 Use of Metal Complex Compounds as Oxidation Catalysts MT-CO2, MT-CO1, SOD1 CCR1 2729/4885CCR5 2351/4885CCR8 3228/4885

“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.