SCHEMBL436611

SCHEMBL436611

O=C(O)c1cccc(-n2c(CCc3ccccc3)ccc2-c2ccccc2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.64
POLB P06746 4/20 0.63
ALDH1A1 P00352 5/20 0.62
KDM4E B2RXH2 4/20 0.62
PKM P14618 1/20 0.62
MAPT P10636 6/20 0.57
ALOX15 P16050 2/20 0.57
HSD17B10 Q99714 2/20 0.57
ALOX12 P18054 1/20 0.57
MAPK1 P28482 1/20 0.57
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
TP53 P04637 2/20 0.50
PTGER1 P34995 4/20 0.48
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
USP2 O75604 1/20 0.47
MYC P01106 1/20 0.47
HSPA1A P0DMV8 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL14865012 0.87 NPC1 (0.82) NPC1POLBALDH1A1KDM4EPKM
SCHEMBL438110 0.84 MAPT (0.70) NPC1POLBALDH1A1KDM4EMAPT
SCHEMBL3023638 0.80 KDM4E (0.47) NPC1POLBALDH1A1KDM4EPKM
SCHEMBL438237 0.74 MEN1 (0.63) POLBALDH1A1KDM4EMAPTALOX15
SCHEMBL436566 0.73 TP53 (0.49) POLBALDH1A1KDM4EPKMMAPT
SCHEMBL30395109 0.72 FOLH1 (0.66) KMT2A
SCHEMBL1817886 0.72 FOLH1 (0.66) KMT2A
SCHEMBL9763027 0.72 MEN1 (0.81) NPC1POLBALDH1A1KDM4EMAPT
SCHEMBL27742354 0.72 ALDH1A1 (0.62) NPC1POLBALDH1A1KDM4EPKM
SCHEMBL2988465 0.71 PLA2G10 (0.64) NPC1POLBALDH1A1KDM4EPKM

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217073-B2 Pyrrole derivatives as therapeutic compounds MYREXIS, INC. (US) 2012-07-10 US claimed
US-20120065241-A1 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS MYREXIS, INC. (US) 2012-03-15 US claimed
EP-1928827-B1 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS MYRIAD GENETICS INC (US) 2012-08-22 EP disclosed
US-8217073-B2 Pyrrole derivatives as therapeutic compounds MYREXIS, INC. (US) 2012-07-10 US disclosed
US-8217073-B2 Pyrrole derivatives as therapeutic compounds MYREXIS, INC. (US) 2012-07-10 US disclosed
US-8217073-B2 Pyrrole derivatives as therapeutic compounds MYREXIS, INC. (US) 2012-07-10 US disclosed
US-20120065241-A1 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS MYREXIS, INC. (US) 2012-03-15 US disclosed
US-20120065241-A1 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS MYREXIS, INC. (US) 2012-03-15 US disclosed
US-20120065241-A1 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS MYREXIS, INC. (US) 2012-03-15 US disclosed
US-20100216862-A1 Pyrrole Derivatives As Therapeutic Compounds MYRIAD PHARMACEUTICALS, INC. (US) 2010-08-26 US disclosed
US-20100216862-A1 Pyrrole Derivatives As Therapeutic Compounds MYRIAD PHARMACEUTICALS, INC. (US) 2010-08-26 US disclosed
US-20090253768-A1 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS MYRIAD GENETICS, INCORPORATED (US) 2009-10-08 US disclosed
US-20090253768-A1 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS MYRIAD GENETICS, INCORPORATED (US) 2009-10-08 US disclosed
US-20080249158-A1 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS MYRIAD GENETICS, INCORPORATED (US) 2008-10-09 US disclosed
US-20080249158-A1 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS MYRIAD GENETICS, INCORPORATED (US) 2008-10-09 US disclosed
US-20080249158-A1 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS MYRIAD GENETICS, INCORPORATED (US) 2008-10-09 US disclosed
EP-1928827-A2 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS MYRIAD GENETICS, INC. (US) 2008-06-11 EP disclosed
WO-2008031034-A2 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2008-03-13 WO disclosed
WO-2007038684-A2 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS MYRIAD GENETICS, INC. (US) 2007-04-05 WO disclosed
WO-2007038684-A2 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS MYRIAD GENETICS, INC. (US) 2007-04-05 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 (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-20120065241-A1 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS NLN, SLC18A2, GOLT1B NPC1 72/4885POLB 998/4885ALDH1A1 2759/4885
US-20100216862-A1 Pyrrole Derivatives As Therapeutic Compounds APP, PSEN2, PSEN1 NPC1 1033/4885POLB 1275/4885ALDH1A1 4389/4885
US-20080249158-A1 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS APP, PSEN2, PSEN1 NPC1 1033/4885POLB 1275/4885ALDH1A1 4389/4885
US-20090253768-A1 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS NLN, SLC18A2, GOLT1B NPC1 72/4885POLB 998/4885ALDH1A1 2759/4885

“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.