SCHEMBL2633250

SCHEMBL2633250

O=C(O)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)sc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.68
SMN1; SMN2 Q16637 4/20 0.68
NFKB1 P19838 2/20 0.68
NFKB2 Q00653 2/20 0.68
RELA Q04206 2/20 0.68
LMNA P02545 2/20 0.68
RAB9A P51151 5/20 0.67
MAPT P10636 5/20 0.67
TDP1 Q9NUW8 4/20 0.67
NPC1 O15118 4/20 0.67
ALDH1A1 P00352 3/20 0.67
GAA P10253 3/20 0.67
POLB P06746 2/20 0.67
HPGD P15428 2/20 0.67
RECQL P46063 2/20 0.67
MITF O75030 1/20 0.67
GFER P55789 1/20 0.67
PAX8 Q06710 1/20 0.67
KLF5 Q13887 1/20 0.67
MMP13 P45452 2/20 0.63

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
SCHEMBL4298752 0.92 SMN1; SMN2 (0.60) KDM4ESMN1; SMN2NFKB1NFKB2RELA
SCHEMBL2117508 0.90 MMP13 (0.60) KDM4ESMN1; SMN2NFKB1NFKB2RELA
SCHEMBL9797268 0.87 KDM4E (0.88) KDM4ESMN1; SMN2NFKB1NFKB2RELA
SCHEMBL2628260 0.86 APP (0.73) KDM4ESMN1; SMN2RAB9AMAPTTDP1
SCHEMBL1996999 0.86 APP (0.73) KDM4ESMN1; SMN2RAB9AMAPTTDP1
SCHEMBL13932580 0.85 DYRK1A (0.57) KDM4ESMN1; SMN2NFKB1NFKB2RELA
SCHEMBL2062033 0.84 APP (0.66) KDM4ESMN1; SMN2LMNARAB9AMAPT
SCHEMBL11887840 0.82 KDM4E (0.78) KDM4ESMN1; SMN2NFKB1NFKB2RELA
SCHEMBL121572 0.82 KDM4E (1.00) KDM4ESMN1; SMN2NFKB1NFKB2RELA
SCHEMBL2628255 0.82 APP (0.63) KDM4ESMN1; SMN2NFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9833458-B2 Thioflavin derivatives for use in the antemortem diagnosis of Alzheimer's disease and in vivo imaging and prevention of amyloid deposition University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-12-05 US disclosed
US-9815784-B2 CC-1065 analogs and their conjugates SYNTARGA B.V. (NL) 2017-11-14 US disclosed
US-20120095235-A1 THIOFLAVIN DERIVATES FOR USE IN THE ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION UNIVERSITY OF PITTSBURGH -- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2012-04-19 US disclosed
US-20110207767-A1 Novel cc-1065 Analogs and Their Conjugates BYONDIS B.V. (NL) 2011-08-25 US disclosed
WO-2010062171-A2 NOVEL CC-1065 ANALOGS AND THEIR CONJUGATES SYNTARGA B.V. (NL) 2010-06-03 WO disclosed
US-20090123373-A1 AMYLOID-IMAGING AGENTS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR NIH 2009-05-14 US disclosed
US-20090123373-A1 AMYLOID-IMAGING AGENTS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR NIH 2009-05-14 US disclosed
US-20080154042-A1 THIOFLAVIN DERIVATIVES FOR USE IN THE ANTEMORTEM DIAGNOSIS OF ALZHEIMERS DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION UNIVERSITY OF PITTSBURGH 2008-06-26 US disclosed
US-20080154042-A1 THIOFLAVIN DERIVATIVES FOR USE IN THE ANTEMORTEM DIAGNOSIS OF ALZHEIMERS DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION UNIVERSITY OF PITTSBURGH 2008-06-26 US disclosed
US-7351401-B2 Thioflavin derivatives for use in the antemortem diagnosis of Alzheimers disease and in vivo imaging and prevention of amyloid deposition UNIVERSITY OF PITTSBURGH (US) 2008-04-01 US disclosed
US-7351401-B2 Thioflavin derivatives for use in the antemortem diagnosis of Alzheimers disease and in vivo imaging and prevention of amyloid deposition UNIVERSITY OF PITTSBURGH (US) 2008-04-01 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-20120095235-A1 THIOFLAVIN DERIVATES FOR USE IN THE ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION APP, MAPT, PSEN2 KDM4E 3866/4885SMN1; SMN2 423/4885NFKB1 2507/4885
US-20080154042-A1 THIOFLAVIN DERIVATIVES FOR USE IN THE ANTEMORTEM DIAGNOSIS OF ALZHEIMERS DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION APP, PSEN2, MAPT KDM4E 4234/4885SMN1; SMN2 445/4885NFKB1 2462/4885
US-20110207767-A1 Novel cc-1065 Analogs and Their Conjugates PCNA, CDC5L, TOP1 KDM4E 866/4885SMN1; SMN2 590/4885NFKB1 728/4885
US-20090123373-A1 AMYLOID-IMAGING AGENTS APBA1, APP, MAPT KDM4E 4809/4885SMN1; SMN2 996/4885NFKB1 3106/4885

“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.