SCHEMBL2886682

SCHEMBL2886682

COc1ccc(-c2cc(O)nnc2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
ESR2 Q92731 1/20 0.46
KMT2A Q03164 3/20 0.43
ABL1 P00519 1/20 0.43
ABCB1 P08183 1/20 0.43
BCR P11274 1/20 0.43
MEN1 O00255 1/20 0.43
GFER P55789 1/20 0.43
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL2880935 0.79 ABL1 (0.43) SMN1; SMN2NPC1RAB9ATP53KMT2A
SCHEMBL10579363 0.73 ESR2 (0.60) BACE1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL2886325 0.69 MAPT (0.59) SMN1; SMN2NPC1RAB9ATP53MAPK1
SCHEMBL11247361 0.68 NPC1 (0.64) SMN1; SMN2NPC1RAB9ATP53MAPK1
SCHEMBL29541984 0.68 KMT2A (0.61) BACE1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL16900562 0.68 ESR2 (0.72) BACE1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL22280547 0.68 ESR2 (0.65) BACE1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL24181236 0.68 ESR2 (0.62) BACE1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL10935648 0.68 BACE1 (0.49) BACE1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL4728295 0.68 KMT2A (0.50) SMN1; SMN2NPC1RAB9ATP53MAPK1

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-7645756-B2 6-[4-(3-piperidin-1-ylpropoxy)-phenyl]-[1,2,4]triazolo[4,3-b]pyridazine; has histamine-H3 receptor antagonistic effect or a histamine-H3 receptor inverse-agonistic effect; for metabolic system, circulatory system or nervous system diseases BANYU PHARMACEUTICAL CO. LTD. (JP) 2010-01-12 US disclosed
US-20070167453-A1 Nitrogenous fused heteroaromatic ring derivative MSD K.K. (JP) 2007-07-19 US disclosed
EP-1719756-A1 NITROGENOUS FUSED HETEROAROMATIC RING DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-08 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-20070167453-A1 Nitrogenous fused heteroaromatic ring derivative HRH3, HRH2, HRH4 BACE1 1742/4885SMN1; SMN2 2656/4885NPC1 2186/4885

“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.