SCHEMBL3000584

SCHEMBL3000584

CC(=O)c1cc(Br)c2c(c1)CCCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
MAPT P10636 3/20 0.38
GNG2 P59768 1/20 0.38
GNB1 P62873 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
CA5A P35218 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 3/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
CYP2D6 P10635 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B1 P14061 1/20 0.33
SRD5A1 P18405 1/20 0.33
SRD5A2 P31213 1/20 0.33

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
SCHEMBL4255144 0.96 NPC1 (0.38) NPC1RAB9AMAPTGNG2GNB1
SCHEMBL21584054 0.89 NPC1 (0.40) NPC1RAB9AMAPTSMN1; SMN2CA5A
SCHEMBL11809862 0.85 GNG2 (0.36) MAPTGNG2GNB1CYP1A2CYP2C19
SCHEMBL4258102 0.80 ALDH1A1 (0.52) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL4266384 0.79 TSHR (0.40) MAPTSMN1; SMN2CYP2C19CYP3A4ALDH1A1
SCHEMBL20906141 0.79 ALDH1A1 (0.38) NPC1RAB9AMAPTGNG2GNB1
SCHEMBL27629627 0.78 GNG2 (0.41) NPC1RAB9AMAPTGNG2GNB1
SCHEMBL25819914 0.78 KDM4E (0.42) MAPTSMN1; SMN2CYP1A2CYP2C19KDM4E
SCHEMBL13790035 0.78 NPC1 (0.40) NPC1RAB9AMAPTSMN1; SMN2CA5A
SCHEMBL2999085 0.75 PGR (0.47) MAPTGNG2GNB1SMN1; SMN2CA5A

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
WO-2024167922-A2 HETEROCYCLIC COMPOUNDS AS NRAS INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-08-15 WO disclosed
US-7825124-B2 Indolylmaleimide derivatives ALBERT RAINER 2010-11-02 US disclosed
US-7786123-B2 Indolylmaleimide derivatives ALBERT RAINER 2010-08-31 US disclosed
US-20090318463-A1 Indolylmaleimide Derivatives ALBERT RAINER 2009-12-24 US disclosed
EP-1337527-B1 INDOLYLMALEIMIDE DERIVATIVES AS PROTEIN KINASE C INHIBITORS NOVARTIS AG (CH) 2009-10-14 EP disclosed
EP-2070921-A1 Indolylmaleimide derivatives as protein kinase c inhibitors Novartis Ag (CH) 2009-06-17 EP disclosed
US-20070191401-A1 Transplant rejection, autoimmune disease, autoimmune disease ALBERT RAINER 2007-08-16 US disclosed
US-20070184061-A1 Indolylmaleimide derivatives ALBERT RAINER 2007-08-09 US disclosed
US-20070155817-A1 Indolylmaleimide derivatives ALBERT RAINER 2007-07-05 US disclosed
US-7220774-B2 Indolylmaleimide derivatives NOVARTIS AG (CH) 2007-05-22 US disclosed
US-20040053949-A1 Indolylmaleimide derivatives ALBERT RAINER (CH) 2004-03-18 US disclosed
US-6645970-B2 Preventing T-cell mediated acute or chronic inflammatory diseases or disorders, autoimmune diseases, graft rejection or cancer NOVARTIS AG (CH) 2003-11-11 US disclosed
EP-1337527-A1 INDOLYLMALEIMIDE DERIVATIVES AS PROTEIN KINASE C INHIBITORS Novartis AG (CH) 2003-08-27 EP disclosed
US-20030069424-A1 Indolylmaleimide derivatives NOVARTIS AG (CH) 2003-04-10 US disclosed
WO-2002038561-A1 INDOLYLMALEIMIDE DERIVATIVES AS PROTEIN KINASE C INHIBITORS NOVARTIS AG (CH) 2002-05-16 WO 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 (6 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-20090318463-A1 Indolylmaleimide Derivatives NFATC1, INMT, IDO1 NPC1 3565/4885RAB9A 1285/4885MAPT 2909/4885
US-20070191401-A1 Transplant rejection, autoimmune disease, autoimmune disease NFATC1, HLA-DRB1, INMT NPC1 3081/4885RAB9A 685/4885MAPT 3568/4885
US-20030069424-A1 Indolylmaleimide derivatives NFATC1, INMT, IDO1 NPC1 3565/4885RAB9A 1285/4885MAPT 2909/4885
US-20040053949-A1 Indolylmaleimide derivatives NFATC1, INMT, IDO1 NPC1 3565/4885RAB9A 1285/4885MAPT 2909/4885
US-20070155817-A1 Indolylmaleimide derivatives NFATC1, INMT, IDO1 NPC1 3565/4885RAB9A 1285/4885MAPT 2909/4885
US-20070184061-A1 Indolylmaleimide derivatives NFATC1, INMT, IDO1 NPC1 3565/4885RAB9A 1285/4885MAPT 2909/4885

“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.