SCHEMBL7222018

SCHEMBL7222018

O=C(O)CCCc1c(-c2ccc(Cl)cc2)nc2ccccn12

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.59
GABRA5 P31644 1/20 0.59
GABRB2 P47870 1/20 0.59
KDM4E B2RXH2 4/20 0.58
NPC1 O15118 1/20 0.58
POLB P06746 1/20 0.58
HTT P42858 1/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
GAA P10253 1/20 0.53
SLC2A1 P11166 1/20 0.53
KCNK3 O14649 10/20 0.53
KCNK9 Q9NPC2 10/20 0.53

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
SCHEMBL8208 0.86 KDM4E (0.64) GABRA1GABRA5GABRB2KDM4ENPC1
SCHEMBL1691920 0.85 KDM4E (0.63) GABRA1GABRA5GABRB2KDM4ENPC1
SCHEMBL7222041 0.80 SLC2A2 (0.63) GABRA1GABRA5GABRB2KDM4ENPC1
SCHEMBL1691661 0.79 KDM4E (0.69) GABRA1GABRA5GABRB2KDM4ENPC1
SCHEMBL10999904 0.78 GABRA2 (0.60) GABRB2KDM4EHTTSLC2A1
SCHEMBL1431027 0.77 KDM4E (0.59) GABRA1GABRA5GABRB2KDM4ENPC1
Hydrochloric Acid SCHEMBL1430093 0.77 KDM4E (0.69) GABRA1GABRA5GABRB2KDM4ENPC1
SCHEMBL1431043 0.77 KDM4E (0.69) GABRA1GABRA5GABRB2KDM4ENPC1
SCHEMBL7228643 0.77 KDM4E (0.64) KDM4ENPC1POLBHTTRAB9A
SCHEMBL7231135 0.77 KDM4E (0.58) KDM4ENPC1POLBHTTRAB9A

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-6514969-B2 Alzheimer's diseas, Parkinson disease, Huntington disease BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-02-04 US disclosed
US-20020042420-A1 Beta-amyloid inhibitors, processes for preparing them, and their use in pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-04-11 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-20020042420-A1 Beta-amyloid inhibitors, processes for preparing them, and their use in pharmaceutical compositions HTT, APP, BACE1 GABRA1 2063/4885GABRA5 2528/4885GABRB2 1743/4885

“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.