SCHEMBL10032136

SCHEMBL10032136

COC(=O)c1ccc2nc(-c3ccc(N)cc3)sc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.74
MAPT P10636 6/20 0.74
NPC1 O15118 6/20 0.74
RAB9A P51151 6/20 0.74
GAA P10253 4/20 0.74
NFKB1 P19838 2/20 0.74
NFKB2 Q00653 2/20 0.74
RELA Q04206 2/20 0.74
HPGD P15428 2/20 0.74
KLF5 Q13887 2/20 0.74
MITF O75030 1/20 0.74
ALDH1A1 P00352 1/20 0.74
POLB P06746 1/20 0.74
RECQL P46063 1/20 0.74
GFER P55789 1/20 0.74
PAX8 Q06710 1/20 0.74
TDP1 Q9NUW8 1/20 0.74
SMN1; SMN2 Q16637 6/20 0.65
KMT2A Q03164 2/20 0.65
APP P05067 9/20 0.62

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
SCHEMBL12596886 0.87 SMN1; SMN2 (0.74) KDM4EMAPTNPC1RAB9AGAA
SCHEMBL15948135 0.86 KDM4E (0.76) KDM4EMAPTNPC1RAB9AGAA
SCHEMBL14415813 0.85 KDM4E (0.80) KDM4EMAPTNPC1RAB9AGAA
SCHEMBL8531346 0.85 KDM4E (1.00) KDM4EMAPTNPC1RAB9AGAA
SCHEMBL10032120 0.84 APP (0.63) KDM4EMAPTNPC1RAB9AGAA
SCHEMBL7604821 0.84 NPC1 (0.61) KDM4EMAPTNPC1RAB9AGAA
SCHEMBL14156910 0.82 APP (0.67) KDM4EMAPTNPC1RAB9AGAA
SCHEMBL12392453 0.82 KDM4E (0.74) KDM4EMAPTNPC1RAB9AGAA
SCHEMBL15946338 0.81 KDM4E (0.69) KDM4EMAPTNPC1RAB9AGAA
SCHEMBL212263 0.81 CYP2C9 (0.71) KDM4EMAPTNPC1RAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8147798-B2 baseline levels of amyloid deposition in the patient before treatment with the anti-amyloid agent are compared with levels of amyloid deposition in the patient following treatment; imaging the patient University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2012-04-03 US disclosed
US-7854920-B2 Bioavailability, nontoxic; 2-(3'-Iodo-4'-aminophenyl)-6-methoxybenzothiazole UNIVERSITY OF PITTSBURGH (US) 2010-12-21 US disclosed
US-20080305040-A1 In Vivo or in Vitro Method For Detecting Amyloid Deposits Having at Least One Amyloidogenic Protein UNIVERSITY OF PITTSBURGH 2008-12-11 US disclosed
US-20080286202-A1 Method of Diagnosing Prodromal Forms of Diseases Associated With Amyloid Deposition UNIVERSITY OF PITTSBURGH (US) 2008-11-20 US disclosed
US-20080219931-A1 Amyloid Imaging as a Surrogate Marker for Efficacy of Anti-Amyloid Therapies UNIVERSITY OF PITTSBURGH 2008-09-11 US disclosed
US-20080021077-A1 Bioavailability, nontoxic; 2-(3'-Iodo-4'-aminophenyl)-6-methoxybenzothiazole UNIVERSITY OF PITTSBURGH 2008-01-24 US disclosed
US-7270800-B2 Imaging amyloid deposits in living patients, with an amyloid binding agents having radiolabeled iodine; radiotherapy UNIVERSITY OF PITTSBURGH (US) 2007-09-18 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 (4 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-20080021077-A1 Bioavailability, nontoxic; 2-(3'-Iodo-4'-aminophenyl)-6-methoxybenzothiazole APOL1, APOB, APP KDM4E 3482/4885MAPT 6/4885NPC1 30/4885
US-20080219931-A1 Amyloid Imaging as a Surrogate Marker for Efficacy of Anti-Amyloid Therapies TTR, APP, SAAL1 KDM4E 4740/4885MAPT 14/4885NPC1 332/4885
US-20080286202-A1 Method of Diagnosing Prodromal Forms of Diseases Associated With Amyloid Deposition PSEN2, PSEN1, APP KDM4E 4792/4885MAPT 13/4885NPC1 109/4885
US-20080305040-A1 In Vivo or in Vitro Method For Detecting Amyloid Deposits Having at Least One Amyloidogenic Protein TTR, APBA1, APP KDM4E 4675/4885MAPT 214/4885NPC1 1489/4885

“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.