SCHEMBL2743487

SCHEMBL2743487

CC(C)(O)c1ccc(C(=O)Nc2nc3ccc(Br)nc3s2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 2/20 0.50
NPC1 O15118 10/20 0.44
RAB9A P51151 10/20 0.44
MEN1 O00255 8/20 0.44
KMT2A Q03164 8/20 0.44
KDM4E B2RXH2 7/20 0.44
TYR P14679 1/20 0.44
SCD O00767 5/20 0.44
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
PPARG P37231 2/20 0.43
NCOR2 Q9Y618 2/20 0.43
PTK2B Q14289 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
NR2E3 Q9Y5X4 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.41
RXFP1 Q9HBX9 2/20 0.41

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
SCHEMBL2743690 0.91 MAP3K5 (0.60) MAP3K5NPC1RAB9AMEN1KMT2A
SCHEMBL2743616 0.89 MAP3K5 (0.47) MAP3K5NPC1RAB9AMEN1KMT2A
SCHEMBL2743469 0.87 MAP3K5 (0.47) MAP3K5NPC1RAB9AMEN1KMT2A
SCHEMBL2743651 0.86 LRRK2 (0.48) MAP3K5NPC1RAB9AMEN1KMT2A
SCHEMBL2743449 0.86 NPC1 (0.47) MAP3K5NPC1RAB9AMEN1KMT2A
SCHEMBL2743973 0.86 RORC (0.46) MAP3K5NPC1RAB9AMEN1KMT2A
SCHEMBL2743559 0.84 MEN1 (0.57) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL857341 0.83 NPC1 (0.59) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL2743767 0.81 MAP3K5 (0.42) MAP3K5NPC1RAB9AMEN1KMT2A
SCHEMBL2743543 0.81 MAP3K5 (0.46) MAP3K5NPC1RAB9AMEN1KMT2A

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-8178555-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
US-8178555-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
US-8178555-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
WO-2010008843-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 WO disclosed
US-20090318425-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 US disclosed
US-20090318425-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 US disclosed
US-20090318425-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 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 (1 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-20090318425-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD MAP3K5 8/4885NPC1 2057/4885RAB9A 3465/4885

“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.