SCHEMBL2509716

SCHEMBL2509716

CCCCN1Cc2cc(NCc3cnccc3NCc3ccccc3)ccc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
GRM5 P41594 1/20 0.38
ADRA2A P08913 1/20 0.37
IDH1 O75874 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
FLT1 P17948 1/20 0.36
CRBN Q96SW2 2/20 0.36
MAOA P21397 1/20 0.36
HSD17B3 P37058 1/20 0.35
KDM6B O15054 1/20 0.35
KDM4A O75164 1/20 0.35
KDM4D Q6B0I6 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK10 P53779 1/20 0.35
BRS3 P32247 1/20 0.35
CCNT1 O60563 1/20 0.34
CDK9 P50750 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
SCHEMBL2507290 0.90 HDAC6 (0.39) KDM4ELMNAGRM5IDH1HDAC6
SCHEMBL2514240 0.86 IDH1 (0.40) KDM4ELMNAGRM5IDH1HDAC6
SCHEMBL2515759 0.85 MAPT (0.45) KDM4ELMNAHPGDHDAC6ALDH1A1
SCHEMBL2511394 0.83 KDM4C (0.38) GRM5IDH1HDAC6CRBNKDM4C
SCHEMBL2511385 0.83 HDAC6 (0.38) KDM4ELMNAHPGDGRM5IDH1
SCHEMBL2511620 0.83 CRBN (0.37) HDAC6CRBN
SCHEMBL2511637 0.83 AAK1 (0.38) KDM4EHPGDHDAC6CRBNKDM6B
SCHEMBL2509717 0.81 KDM4C (0.38) KDM4EGRM5IDH1KDM6BKDM4A
SCHEMBL2510813 0.80 BRD9 (0.40) LMNAGRM5HDAC6CRBNBRD4
SCHEMBL2506687 0.80 GRM5 (0.40) KDM4ELMNAHPGDGRM5ADRA2A

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 KDM4E 3833/4885LMNA 3618/4885HPGD 1984/4885

“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.