SCHEMBL3071853

SCHEMBL3071853

Cc1ccnn1Cc1c(Cl)cccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
P2RX7 Q99572 2/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 3/20 0.44
CYP2A13 Q16696 1/20 0.43
MAPK1 P28482 1/20 0.42
SLC22A12 Q96S37 4/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL11654507 0.78 KDM4E (0.58) GAAP2RX7HTTALDH1A1CYP2A13
SCHEMBL4365345 0.77 TSHR (0.56) GAAP2RX7ALDH1A1MAPK1LMNA
SCHEMBL22516944 0.73 KDM4E (0.61) P2RX7HTTALDH1A1MAPK1SMN1; SMN2
SCHEMBL22516957 0.69 P2RX7 (0.46) P2RX7ALDH1A1MAPK1LMNAKMT2A
SCHEMBL257500 0.69
SCHEMBL3059005 0.68 SLC22A12 (0.55) SLC22A12
SCHEMBL14584089 0.68 SLC22A12 (0.62) GAASLC22A12KMT2A
SCHEMBL22516945 0.68 MAPK1 (0.44) P2RX7HTTALDH1A1MAPK1LMNA
SCHEMBL22516943 0.68 ALDH1A1 (0.66) P2RX7ALDH1A1
SCHEMBL29941447 0.68 LMNA (0.54) GAAALDH1A1LMNASMN1; SMN2KMT2A

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-7790761-B2 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2010-09-07 US disclosed
US-20060100248-A1 Blockade of voltage dependent sodium channels GARTHWAITE GITI 2006-05-11 US disclosed
US-7009056-B2 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2006-03-07 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-20060100248-A1 Blockade of voltage dependent sodium channels CACNA1I, CACNA1F, CACNA1C GAA 2630/4885P2RX7 1069/4885HTT 2669/4885

“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.