SCHEMBL441869

SCHEMBL441869

Cc1cncc(-c2ccnc(Cl)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
CYP2A6 P11509 4/20 0.40
KMO O15229 2/20 0.40
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
ABL1 P00519 2/20 0.39
BCR P11274 2/20 0.39
HDAC8 Q9BY41 1/20 0.38
WNT3A P56704 1/20 0.38
PTGS2 P35354 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KARS1 Q15046 1/20 0.36

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
SCHEMBL31391008 0.81 NQO2 (0.46) CYP11B1CYP11B2KMOABL1BCR
SCHEMBL445195 0.80 CYP3A4 (0.50) CYP11B1CYP11B2CYP2A6HDAC8PIK3CG
SCHEMBL30039418 0.78 KMO (0.59) KMOABL1BCRKDM4EMEN1
SCHEMBL2350651 0.78 KMO (0.59) KMOABL1BCRKDM4EMEN1
SCHEMBL444442 0.77 KMT2A (0.56) KMOKDM4EMEN1ALDH1A1MAPT
SCHEMBL17601433 0.77 HSP90AA1 (0.41) CYP11B1CYP11B2CYP2A6KMOABL1
SCHEMBL21044714 0.77 KMO (0.38) CYP2A6KMOKDM4EMEN1ALDH1A1
SCHEMBL31390953 0.76 CYP11B2 (0.42) CYP11B1CYP11B2KMO
SCHEMBL21327010 0.76 CHRNA7 (0.47) CYP11B1CYP11B2KMOALDH1A1MAPT
SCHEMBL19569868 0.75 CYP2A6 (0.66) CYP11B1CYP11B2CYP2A6WNT3AKDM4E

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 5 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
WO-2012031993-A1 NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 WO disclosed
US-20120065204-A1 NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 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 CYP11B1 83/4885CYP11B2 91/4885CYP2A6 1809/4885

“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.