SCHEMBL445044

SCHEMBL445044

Cc1ccc(-c2ccnc(Cl)n2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.47
HDAC1 Q13547 4/20 0.42
KDM1A O60341 3/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
DHODH Q02127 1/20 0.38
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 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
SCHEMBL3622296 0.77 CYP19A1 (0.49) CCR1CCR5CCR8KDM4EMEN1
SCHEMBL31011728 0.77 CYP19A1 (0.49) CCR1CCR5CCR8KDM4EMEN1
SCHEMBL16277261 0.77 CYP46A1 (0.60) PIK3CAPIK3CBPIK3CGKDM4EMEN1
SCHEMBL20497532 0.76 DYRK1A (0.40) KMOPIK3CAPIK3CBPIK3CGCCR1
SCHEMBL2350242 0.76 NPC1 (0.47) KMOKDM4ETDP1L3MBTL1FEN1
SCHEMBL3624500 0.75 AGPAT2 (0.42) KMOKDM4EMEN1ALDH1A1MAPT
SCHEMBL31011561 0.75 AGPAT2 (0.42) KMOKDM4EMEN1ALDH1A1MAPT
SCHEMBL24853207 0.75 KMO (0.42) KMOFEN1CDK2
SCHEMBL22097649 0.75 KMO (0.48) KMOHDAC1KDM1AHDAC8HDAC2
SCHEMBL25983834 0.74 JAK2 (0.36) KMOFEN1CDC7CCNE1CDK2

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
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

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 KMO 2770/4885HDAC1 36/4885KDM1A 1169/4885

“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.