SCHEMBL12697280

SCHEMBL12697280

C=CCc1ccc(Cl)nc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.43
CHRNA1 P02708 2/20 0.42
CHRNA7 P36544 2/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
LMNA P02545 1/20 0.41

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
Hydrochloric Acid SCHEMBL9281543 0.98 GAA (0.44) GAAMAPTL3MBTL1KDM4EALDH1A1
SCHEMBL245979 0.81 ALDH1A1 (0.49) GAAMAPTL3MBTL1KDM4EALDH1A1
SCHEMBL16166710 0.79 ALDH1A1 (0.47) GAAMAPTL3MBTL1KDM4EALDH1A1
SCHEMBL4948816 0.78 ALDH1A1 (0.42) GAAMAPTL3MBTL1KDM4EALDH1A1
SCHEMBL34465669 0.77 MAPT (0.38) GAAMAPTL3MBTL1KDM4EALDH1A1
SCHEMBL11124858 0.77 ALDH1A1 (0.41) GAAMAPTL3MBTL1KDM4EALDH1A1
SCHEMBL10579425 0.77 GAA (0.47) GAAMAPTL3MBTL1KDM4EALDH1A1
SCHEMBL3964474 0.76 ALDH1A1 (0.45) GAAMAPTL3MBTL1KDM4EALDH1A1
SCHEMBL27636931 0.76 DGAT1 (0.46) GAAMAPTL3MBTL1KDM4EALDH1A1
SCHEMBL7782632 0.76 KDM4E (0.51) GAAMAPTL3MBTL1KDM4EALDH1A1

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-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 US disclosed
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 US disclosed
EP-2358686-B1 ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2012-09-26 EP 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-20130072471-A1 Inhibitors of Ion Channels TRPV1, TRPV5, TRPA1 GAA 3679/4885MAPT 2938/4885L3MBTL1 4718/4885

“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.