SCHEMBL447060

SCHEMBL447060

Clc1nccc(-c2ccccc2Cl)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.47
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
IDO1 P14902 1/20 0.44
KMO O15229 1/20 0.43
GRM5 P41594 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 1/20 0.41
MAPK14 Q16539 2/20 0.40
CYP2A6 P11509 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
MAPK1 P28482 2/20 0.40
CYP2C19 P33261 2/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 1/20 0.40
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL10940020 0.84 CYP19A1 (0.56) CYP19A1HSP90AA1HSP90AB1IDO1KMO
SCHEMBL31452201 0.83 MAPT (0.43) GAACYP2A6ALDH1A1CYP1A2CYP3A4
SCHEMBL5786593 0.83 MAPT (0.43) GAACYP2A6ALDH1A1CYP1A2CYP3A4
SCHEMBL28845264 0.82 IDO1 (0.49) CYP19A1IDO1KMOGRM5L3MBTL1
SCHEMBL10939917 0.81 CYP19A1 (0.45) CYP19A1HSP90AA1HSP90AB1IDO1KMO
SCHEMBL31380425 0.81 ALDH1A1 (0.43) HSP90AA1HSP90AB1IDO1L3MBTL1GAA
SCHEMBL31011602 0.81 CYP19A1 (0.45) CYP19A1IDO1KMOGAAALDH1A1
SCHEMBL2350242 0.81 NPC1 (0.47) IDO1KMOL3MBTL1TDP1NPC1
SCHEMBL1914955 0.81 HSP90AA1 (0.59) CYP19A1HSP90AA1HSP90AB1KMOL3MBTL1
SCHEMBL29002136 0.81 HSP90AA1 (0.46) CYP19A1HSP90AA1HSP90AB1IDO1KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2613775-B1 N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2014-07-30 EP disclosed
US-8716285-B2 N-hydroxy-benzamids for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2014-05-06 US disclosed
EP-2613775-A1 NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER F.HOFFMANN-LA ROCHE AG (CH) 2013-07-17 EP disclosed
US-20120065204-A1 NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
WO-2012031993-A1 NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 WO disclosed
CN-102317266-A 6-phenylpyrimidinones as PIM modulators EXELIXIS INC 2012-01-11 CN disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
US-4624952-A Pyridazine and pyrimidine compounds active on the central nervous system as sedatives or anticonvulsants SANOFI (FR) 1986-11-25 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-20120065204-A1 NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER HNMT, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HRAS CYP19A1 840/4885HSP90AA1 2052/4885HSP90AB1 1300/4885

“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.