SCHEMBL438115

SCHEMBL438115

Cc1c(-c2ccccc2)cc(-c2ccccc2)n1-c1ccc(Cl)c(C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.58
CTSB P07858 1/20 0.58
ALDH1A1 P00352 6/20 0.52
L3MBTL1 Q9Y468 5/20 0.52
POLB P06746 3/20 0.52
CTDSP1 Q9GZU7 3/20 0.52
CASP6 P55212 2/20 0.52
NSD2 O96028 2/20 0.52
RECQL P46063 2/20 0.52
PKM P14618 1/20 0.52
APEX1 P27695 1/20 0.52
CASP3 P42574 1/20 0.52
MYC P01106 2/20 0.50
NOTUM Q6P988 4/20 0.48
PLK1 P53350 1/20 0.46
NR4A1 P22736 1/20 0.45
KDM4E B2RXH2 4/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 1/20 0.45
SERPINE1 P05121 1/20 0.43

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
SCHEMBL438258 0.80 ALDH1A1 (0.62) TDP1ALDH1A1L3MBTL1POLBPKM
SCHEMBL437676 0.77 ALDH1A1 (0.67) TDP1ALDH1A1L3MBTL1POLBCTDSP1
SCHEMBL436568 0.77 ALDH1A1 (0.53) TDP1ALDH1A1L3MBTL1POLBCTDSP1
SCHEMBL5922325 0.76 NOTUM (0.67) ALDH1A1NOTUMPLK1CHRNA7
SCHEMBL10205950 0.75 PLK1 (0.54) ALDH1A1L3MBTL1POLBPLK1HPGD
SCHEMBL27542192 0.75 NOTUM (0.70) ALDH1A1PKMNOTUMPLK1KDM4E
SCHEMBL14280209 0.74 HTT (0.55) ALDH1A1L3MBTL1PKMPLK1KDM4E
SCHEMBL13430836 0.74 TDP1 (1.00) TDP1CTSBALDH1A1L3MBTL1POLB
SCHEMBL2449412 0.73 PLK1 (0.73) ALDH1A1PKMMYCNOTUMPLK1
SCHEMBL436563 0.71 PLA2G10 (0.43) ALDH1A1POLBKDM4EHSD17B10MEN1

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 23 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-7714022-B2 Pyrrole derivatives as therapeutic compounds MYRIAD PHARMACEUTICALS, INC. (US) 2010-05-11 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-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
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

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 TDP1 375/4885CTSB 734/4885ALDH1A1 2759/4885
US-20100216862-A1 Pyrrole Derivatives As Therapeutic Compounds APP, PSEN2, PSEN1 TDP1 224/4885CTSB 1119/4885ALDH1A1 4389/4885
US-20080249158-A1 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS APP, PSEN2, PSEN1 TDP1 224/4885CTSB 1119/4885ALDH1A1 4389/4885
US-20090253768-A1 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS NLN, SLC18A2, GOLT1B TDP1 375/4885CTSB 734/4885ALDH1A1 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.