SCHEMBL2511909

SCHEMBL2511909

COCCN1Cc2cc(NCc3c(C(F)(F)F)ccnc3Cl)cc(C)c2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 1/20 0.36
MCL1 Q07820 1/20 0.35
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
PIK3CG P48736 1/20 0.34
PARP1 P09874 1/20 0.34
MAPT P10636 1/20 0.34
P2RX7 Q99572 1/20 0.33
CYP3A4 P08684 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL2510495 0.91 PIK3CG (0.36) ALDH1A1KDM4EHTTNPSR1TP53
SCHEMBL2511459 0.89 PIK3CG (0.35) PIK3CGP2RX7
SCHEMBL2510811 0.89 PIK3CG (0.37) PIK3CGP2RX7
SCHEMBL2508796 0.88 PIK3CG (0.45) PIK3CGP2RX7
SCHEMBL2509719 0.86 IDH1 (0.36) ALDH1A1POLBKDM4EHSD17B10SMN1; SMN2
SCHEMBL2507370 0.81 IDH1 (0.33)
SCHEMBL2511462 0.75 CRBN (0.36) TP53MAPTGAA
SCHEMBL2511074 0.73 PARP1 (0.32) PARP1MAPTP2RX7TSHR
SCHEMBL2511407 0.65 HDAC6 (0.41) KDM4ETP53MAPTGAAHPGD
SCHEMBL4323296 0.63 ALDH1A1 (0.52) ALDH1A1POLBKDM4EHSD17B10HTT

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-8664214-B2 Small molecule potentiators of metabotropic glutamate receptors I AbbVie Deutschland GmbH & Co. KG (DE) 2014-03-04 US disclosed
US-20110245232-A1 NOVEL SMALL MOLECULE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS I ABBOTT GMBH & CO. KG (DE) 2011-10-06 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-20110245232-A1 NOVEL SMALL MOLECULE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS I GRM3, GRIN2C, GRIN2B ALDH1A1 3809/4885POLB 2237/4885KDM4E 3833/4885

“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.