SCHEMBL12298266

SCHEMBL12298266

COc1ccc(Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 1/20 0.64
▸ TUBB P07437 1/20 0.64
▸ TUBA3C P0DPH7 1/20 0.64
▸ TUBA1B P68363 1/20 0.64
▸ TUBA4A P68366 1/20 0.64
▸ TUBB4B P68371 1/20 0.64
▸ TUBB3 Q13509 1/20 0.64
▸ TUBB2A Q13885 1/20 0.64
▸ TUBB8 Q3ZCM7 1/20 0.64
▸ TUBA3E Q6PEY2 1/20 0.64
▸ TUBA1A Q71U36 1/20 0.64
▸ TUBA1C Q9BQE3 1/20 0.64
▸ TUBB6 Q9BUF5 1/20 0.64
▸ TUBB2B Q9BVA1 1/20 0.64
▸ TUBB1 Q9H4B7 1/20 0.64
▸ ALOX5 P09917 1/20 0.60
▸ NPC1 O15118 3/20 0.57
▸ RAB9A P51151 3/20 0.57
▸ MAPT P10636 9/20 0.56
▸ MMP12 P39900 1/20 0.56

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
SCHEMBL12297776 0.84 MEN1 (0.59) ALOX5NPC1RAB9AMAPTMMP12
SCHEMBL6199558 0.83 CYP1A1 (0.61) NPC1RAB9AMAPTMMP12MEN1
SCHEMBL28117025 0.80 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12297303 0.79 TUBB4A (0.84) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Hydrochloric Acid SCHEMBL8524166 0.78 MAPT (0.70) NPC1RAB9AMAPTMMP12MEN1
SCHEMBL12297173 0.77 TUBB4A (0.80) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28331467 0.77 TUBB4A (0.88) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL18114158 0.76 SMN1; SMN2 (0.63) NPC1RAB9AMAPTMMP12MEN1
SCHEMBL13224475 0.76 ALOX5 (0.58) ALOX5NPC1RAB9AMAPTMMP12
SCHEMBL26136074 0.76 MEN1 (0.83) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017629-B2 Compounds and uses thereof in modulating amyloid β NEUROGENETIC PHARMACEUTICALS, INC. (US) 2011-09-13 — — US disclosed
US-8017629-B2 Compounds and uses thereof in modulating amyloid β NEUROGENETIC PHARMACEUTICALS, INC. (US) 2011-09-13 — — US disclosed
US-20100324032-A1 COMPOUNDS AND USES THEREOF IN MODULATING AMYLOID BETA NEUROGENETIC PHARMACEUTICALS, INC. 2010-12-23 — — US disclosed
US-20100324032-A1 COMPOUNDS AND USES THEREOF IN MODULATING AMYLOID BETA NEUROGENETIC PHARMACEUTICALS, INC. 2010-12-23 — — US disclosed
US-7781442-B2 Compounds and uses thereof in modulating amyloid beta NEUROGENETIC PHARMACEUTICALS, INC. (US) 2010-08-24 — — US disclosed
US-7781442-B2 Compounds and uses thereof in modulating amyloid beta NEUROGENETIC PHARMACEUTICALS, INC. (US) 2010-08-24 — — US disclosed
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta TORREYPINES THERAPEUTICS INC. 2007-11-08 — — US disclosed
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta TORREYPINES THERAPEUTICS INC. 2007-11-08 — — US disclosed
US-7244739-B2 Compounds and uses thereof in modulating amyloid beta TORREYPINES THERAPEUTICS, INC. (US) 2007-07-17 — — US disclosed
US-7244739-B2 Compounds and uses thereof in modulating amyloid beta TORREYPINES THERAPEUTICS, INC. (US) 2007-07-17 — — 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 (2 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-20100324032-A1 COMPOUNDS AND USES THEREOF IN MODULATING AMYLOID BETA APP, BACE1, BACE2 TUBB4A 235/4885TUBB 206/4885TUBA3C 832/4885
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta APP, BACE1, BACE2 TUBB4A 235/4885TUBB 206/4885TUBA3C 832/4885

“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.

Send feedback