SCHEMBL5100980

SCHEMBL5100980

CC(=O)Nc1ccc(Cl)nc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 2/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.41
PTK2 Q05397 1/20 0.41
PGK1 P00558 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ROCK2 O75116 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL16372367 0.85 ALDH1A1 (0.37) KDM4EHSD17B10MAPTPOLBNPC1
SCHEMBL3508924 0.83 ALDH1A1 (0.47) KDM4EHSD17B10MAPTPOLBNPC1
SCHEMBL29363509 0.83 ALDH1A1 (0.47) KDM4EHSD17B10MAPTPOLBNPC1
SCHEMBL3645280 0.82 ALDH1A1 (0.38) MAPTPOLBNPC1RAB9AALDH1A1
SCHEMBL17478601 0.82 RXFP1 (0.39) KDM4EMAPTPOLBNPC1RAB9A
SCHEMBL9995243 0.81 RXFP1 (0.45) KDM4EHSD17B10MAPTPOLBNPC1
SCHEMBL9982506 0.81 KDM4E (0.44) KDM4EHSD17B10MAPTPOLBNPC1
SCHEMBL20449079 0.81 RXFP1 (0.45) KDM4EHSD17B10MAPTPOLBNPC1
SCHEMBL9649989 0.81 KDM4E (0.44) KDM4EHSD17B10MAPTPOLBNPC1
SCHEMBL25382722 0.81 TAS2R38 (0.36) NPC1RAB9AALDH1A1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425557-B2 Inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-16 US disclosed
US-7045519-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-16 US disclosed
US-7037918-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-02 US disclosed
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-04-27 US disclosed
EP-1087963-B1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORP (US) 2004-08-25 EP disclosed
US-20030130289-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2003-07-10 US disclosed
EP-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP disclosed
US-6489344-B1 FOR TREATMENT DIABETES IN A HUMAN OR ANIMAL SUBJECT CHIRON CORPORATION 2002-12-03 US disclosed
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2002-10-24 US disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 WO disclosed
EP-0727421-A1 Agents for improving sleep JANSSEN PHARMACEUTICA N.V. (BE) 1996-08-21 EP disclosed
EP-0285219-A2 Method of improving sleep JANSSEN PHARMACEUTICA N.V. (BE) 1988-10-05 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 (3 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-20030130289-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB KDM4E 2320/4885HSD17B10 1240/4885MAPT 134/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB KDM4E 2567/4885HSD17B10 1210/4885MAPT 146/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB KDM4E 2567/4885HSD17B10 1210/4885MAPT 146/4885

“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.