SCHEMBL4538618

SCHEMBL4538618

COc1cc(C)nc(-c2cccc(Br)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.42
CCR8 P51685 1/20 0.42
CRHR1 P34998 4/20 0.38
HSP90AA1 P07900 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
FFAR1 O14842 2/20 0.36
METAP2 P50579 1/20 0.36
TGFBR1 P36897 1/20 0.35
MAPK14 Q16539 1/20 0.35
ACHE P22303 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
BTK Q06187 1/20 0.35
TP53 P04637 1/20 0.35
MAP4K4 O95819 1/20 0.34
ROS1 P08922 1/20 0.34
PIM1 P11309 1/20 0.34
PHKG2 P15735 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL15470588 0.86 CCR1 (0.59) CCR1CCR8HSP90AA1TSHRHTT
SCHEMBL4538906 0.79 MAOB (0.46) TSHRFFAR1
SCHEMBL5020316 0.77 FFAR1 (0.39) CCR1CCR8CRHR1HSP90AA1TSHR
SCHEMBL4541047 0.77 CCR1 (0.45) CCR1CCR8HSP90AA1METAP2TGFBR1
SCHEMBL3419835 0.77 CCR1 (0.73) CCR1CCR8METAP2TGFBR1MAPK14
SCHEMBL7850867 0.76 ABL1 (0.47) HSP90AA1TP53DYRK1A
SCHEMBL4735238 0.75 HSP90AA1 (0.59) CCR1CCR8CRHR1HSP90AA1HTT
SCHEMBL7241847 0.74 ALDH1A1 (0.46) CCR1CCR8HSP90AA1CYP1A2CYP2A6
SCHEMBL12336074 0.73 ALDH1A1 (0.43) CRHR1CYP1A2
SCHEMBL17144746 0.73 NPC1 (0.53) HSP90AA1DYRK1A

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
US-20140045873-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-02-13 US disclosed
US-20140045873-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-02-13 US disclosed
US-20140045873-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-02-13 US disclosed
EP-2638011-A1 NOVEL MICROBIOCIDES Syngenta Participations AG (CH) 2013-09-18 EP disclosed
WO-2012117021-A2 NOVEL MICROBIOCIDAL OXIME ETHERS SYNGENTA PARTICIPATIONS AG (CH) 2012-09-07 WO disclosed
WO-2012062844-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-18 WO disclosed
WO-2012062844-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-18 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-20140045873-A1 NOVEL MICROBIOCIDES MSR1, CD209, C3AR1 CCR1 202/4885CCR8 831/4885CRHR1 2133/4885

“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.