SCHEMBL1453166

SCHEMBL1453166

CN(C)c1ccc(-c2nnc(-c3cccs3)o2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 1.00
ALDH1A1 P00352 13/20 1.00
RAB9A P51151 13/20 1.00
NPC1 O15118 11/20 1.00
SMN1; SMN2 Q16637 9/20 1.00
MAPT P10636 4/20 1.00
NFKB1 P19838 2/20 1.00
NFKB2 Q00653 2/20 1.00
RELA Q04206 2/20 1.00
KMT2A Q03164 2/20 1.00
RXFP1 Q9HBX9 2/20 1.00
GAA P10253 2/20 1.00
MEN1 O00255 1/20 1.00
HCRTR1 O43613 1/20 1.00
CASP3 P42574 1/20 1.00
SENP7 Q9BQF6 1/20 1.00
HPGD P15428 9/20 0.60
APP P05067 1/20 0.58
TP53 P04637 4/20 0.58
HSD17B10 Q99714 7/20 0.57

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
SCHEMBL13930785 0.83 ALDH1A1 (1.00) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL122784 0.82 APP (0.81) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7059841 0.80 ALDH1A1 (0.73) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL8889974 0.80 APP (0.79) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL13762461 0.80 KDM4E (0.70) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL13930781 0.80 ALDH1A1 (0.71) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL720619 0.80 RAB9A (0.71) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL3263307 0.80 KDM4E (0.71) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL6689179 0.79 APP (0.71) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL2368770 0.78 MAPT (0.63) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210220408-A1 ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND METHODS OF USE EDIGENE BIOTECHNOLOGY, INC. (CN) 2021-07-22 US disclosed
US-20110190492-A1 DIAGNOSTIC PROBE FOR CONFORMATION DISEASE TOHOKU UNIVERSITY (JP) 2011-08-04 US disclosed
US-20110190492-A1 DIAGNOSTIC PROBE FOR CONFORMATION DISEASE TOHOKU UNIVERSITY (JP) 2011-08-04 US disclosed
US-20110190492-A1 DIAGNOSTIC PROBE FOR CONFORMATION DISEASE TOHOKU UNIVERSITY (JP) 2011-08-04 US disclosed
US-7910579-B2 Benzoxazole derivatives TOHOKU UNIVERSITY (JP) 2011-03-22 US disclosed
US-7910579-B2 Benzoxazole derivatives TOHOKU UNIVERSITY (JP) 2011-03-22 US disclosed
US-7910579-B2 Benzoxazole derivatives TOHOKU UNIVERSITY (JP) 2011-03-22 US disclosed
US-20100021385-A1 BENZOXAZOLE DERIVATIVES TOHOKU UNIVERSITY (JP) 2010-01-28 US disclosed
US-20100021385-A1 BENZOXAZOLE DERIVATIVES TOHOKU UNIVERSITY (JP) 2010-01-28 US disclosed
US-20100021385-A1 BENZOXAZOLE DERIVATIVES TOHOKU UNIVERSITY (JP) 2010-01-28 US disclosed
EP-2103611-A1 BENZOXAZOLE DERIVATIVES Tohoku University (JP) 2009-09-23 EP disclosed
US-20090185975-A1 DIAGNOSTIC PROBE FOR CONFORMATION DISEASE TOHOKU UNIVERSITY (JP) 2009-07-23 US disclosed
US-20090185975-A1 DIAGNOSTIC PROBE FOR CONFORMATION DISEASE TOHOKU UNIVERSITY (JP) 2009-07-23 US disclosed
US-20090185975-A1 DIAGNOSTIC PROBE FOR CONFORMATION DISEASE TOHOKU UNIVERSITY (JP) 2009-07-23 US disclosed
EP-1967517-A1 PROBE FOR DIAGNOSIS OF CONFORMATIONAL DISEASE TOHOKU UNIVERSITY (JP) 2008-09-10 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 (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-20090185975-A1 DIAGNOSTIC PROBE FOR CONFORMATION DISEASE TARDBP, LMNA, PMP22 KDM4E 3776/4885ALDH1A1 2945/4885RAB9A 3592/4885
US-20100021385-A1 BENZOXAZOLE DERIVATIVES CBX7, KIT, BMX KDM4E 1190/4885ALDH1A1 1195/4885RAB9A 3587/4885
US-20210220408-A1 ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND METHODS OF USE AHR, ARNT, ARSA KDM4E 1784/4885ALDH1A1 98/4885RAB9A 4056/4885
US-20110190492-A1 DIAGNOSTIC PROBE FOR CONFORMATION DISEASE TARDBP, LMNA, PMP22 KDM4E 3776/4885ALDH1A1 2945/4885RAB9A 3592/4885

“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.