SCHEMBL14935907

SCHEMBL14935907

[PbH2].c1cnn(-c2ccncn2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
GLA P06280 1/20 0.46
LMNA P02545 3/20 0.46
GRM5 P41594 4/20 0.44
HTT P42858 2/20 0.44
RPS6KA5 O75582 1/20 0.44
KMT2A Q03164 3/20 0.42
MAPK1 P28482 3/20 0.41
MEN1 O00255 2/20 0.41
MAPK10 P53779 1/20 0.41
NOTUM Q6P988 1/20 0.40
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
G6PD P11413 1/20 0.37
AOC3 Q16853 1/20 0.37

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
SCHEMBL14760276 0.98 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL9521570 0.75 SMN1; SMN2 (0.67) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL173802 0.74 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL29635627 0.74 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL28859111 0.72 LMNA (0.49) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL29616282 0.72 LMNA (0.49) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL15363768 0.72 LMNA (0.49) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL30369156 0.72 LMNA (0.49) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL27930525 0.72 LMNA (0.49) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL27954206 0.72 CYP2A6 (0.44) KDM4EALDH1A1SMN1; SMN2GLAHTT

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-20130123281-A1 Compositions and Methods for Inhibition of TBL-1 Binding to Disease-Associated Molecules BETA CAT PHARMACEUTICALS, LLC (US) 2013-05-16 US disclosed
WO-2013071232-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF TBL-1 BINDING TO DISEASE-ASSOCIATED MOLECULES BETA CAT PHARMACEUTICALS, LLC (US) 2013-05-16 WO 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-20130123281-A1 Compositions and Methods for Inhibition of TBL-1 Binding to Disease-Associated Molecules TBL2, TBL3, TBL1XR1 KDM4E 4111/4885ALDH1A1 4448/4885SMN1; SMN2 2803/4885

“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.