SCHEMBL2888912

SCHEMBL2888912

CCOC(=O)c1cc(-c2ccc(OC)cc2)n[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 1.00
RAB9A P51151 5/20 1.00
NPC1 O15118 4/20 1.00
L3MBTL1 Q9Y468 1/20 1.00
ALPL P05186 7/20 0.75
LMNA P02545 2/20 0.75
SMN1; SMN2 Q16637 1/20 0.75
CA9 Q16790 1/20 0.68
ALDH1A1 P00352 2/20 0.67
ACR P10323 2/20 0.62
POLB P06746 1/20 0.60
HDAC3 O15379 2/20 0.59
HDAC4 P56524 2/20 0.59
HDAC1 Q13547 2/20 0.59
HDAC7 Q8WUI4 2/20 0.59
HDAC2 Q92769 2/20 0.59
HDAC10 Q969S8 2/20 0.59
HDAC11 Q96DB2 2/20 0.59
HDAC8 Q9BY41 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59

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
SCHEMBL1414008 0.86 MAPT (1.00) MAPTRAB9ANPC1L3MBTL1ALPL
SCHEMBL4714286 0.86 MAPT (0.77) MAPTRAB9ANPC1L3MBTL1ALPL
SCHEMBL19533601 0.86 MAPT (0.75) MAPTRAB9ANPC1L3MBTL1ALPL
SCHEMBL4683636 0.86 MAPT (0.75) MAPTRAB9ANPC1L3MBTL1ALPL
SCHEMBL25168483 0.85 ALPL (0.76) MAPTRAB9ANPC1L3MBTL1ALPL
SCHEMBL1413959 0.85 ALPL (1.00) MAPTRAB9ANPC1L3MBTL1ALPL
SCHEMBL2824803 0.85 ALPL (0.76) MAPTRAB9ANPC1L3MBTL1ALPL
SCHEMBL19544602 0.85 MAPT (0.73) MAPTRAB9ANPC1L3MBTL1ALPL
SCHEMBL595997 0.85 ALPL (0.75) MAPTRAB9ANPC1L3MBTL1ALPL
SCHEMBL4712555 0.83 ALPL (0.73) MAPTRAB9ANPC1L3MBTL1ALPL

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104814956-A Use of ethyl (S)-1-(3-p-chlorophenoxy-2-hydroxypropyl)-3-p-methoxyphenyl-1H-pyrazolyl-5-carboxylate in pharmacy UNIV SHANDONG 2015-08-05 CN disclosed
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 MAPT 3450/4885RAB9A 3692/4885NPC1 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.