SCHEMBL2512141

SCHEMBL2512141

CCCCN1Cc2cc(OCc3c(I)ccnc3Cl)ccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.37
ITGA2B P08514 2/20 0.37
F10 P00742 1/20 0.36
ADAM17 P78536 1/20 0.36
IDH1 O75874 1/20 0.36
PRF1 P14222 1/20 0.35
GRM5 P41594 2/20 0.34
NR1H4 Q96RI1 1/20 0.34
GRM1 Q13255 2/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ITGAV P06756 1/20 0.33
GRM2 Q14416 1/20 0.33
PRMT5 O14744 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
SCHEMBL2510944 0.87 IDH1 (0.42) ITGB3ITGA2BF10IDH1PRF1
SCHEMBL2510563 0.74 IDH1 (0.38) IDH1PRF1GRM5GRM1GAA
SCHEMBL2511407 0.73 HDAC6 (0.41) IDH1PRF1GRM5GRM1GAA
SCHEMBL2512573 0.73 ADAM17 (0.39) ITGB3ITGA2BADAM17PRF1GRM5
SCHEMBL2510455 0.73 ADAM17 (0.42) ITGB3ITGA2BF10ADAM17IDH1
SCHEMBL3639261 0.72 PRF1 (0.41) ITGB3ITGA2BF10ADAM17PRF1
SCHEMBL2499130 0.71 GRM5 (0.46) ADAM17PRF1GRM5MEN1NPC1
SCHEMBL3639893 0.71 PRF1 (0.40) ITGB3ITGA2BF10ADAM17PRF1
SCHEMBL2511462 0.70 CRBN (0.36) IDH1PRF1GRM5GRM1GAA
SCHEMBL3635276 0.70 PRF1 (0.37) ADAM17PRF1GRM5GRM1

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 3 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 claimed
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 ITGB3 2787/4885ITGA2B 3237/4885F10 4004/4885

“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.