SCHEMBL415207

SCHEMBL415207

NC1CCc2ccc(Br)cc2C1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.62
DRD3 P35462 2/20 0.62
PLAU P00749 1/20 0.57
MAPT P10636 2/20 0.53
NFKB1 P19838 1/20 0.53
THPO P40225 1/20 0.53
HIF1A Q16665 1/20 0.53
HSD17B10 Q99714 1/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
OPRK1 P41145 1/20 0.53
KDM4E B2RXH2 1/20 0.52
ACHE P22303 2/20 0.47
PNMT P11086 1/20 0.43
KDM1A O60341 3/20 0.42

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
SCHEMBL7451568 1.00 DRD2 (0.62) DRD2DRD3PLAUMAPTNFKB1
Hydrochloric Acid SCHEMBL21810869 0.98 DRD2 (0.61) DRD2DRD3PLAUMAPTNFKB1
SCHEMBL354979 0.92 OPRK1 (0.62) DRD2DRD3PLAUMAPTNFKB1
SCHEMBL3020673 0.92 OPRK1 (0.62) DRD2DRD3PLAUMAPTNFKB1
SCHEMBL354978 0.92 OPRK1 (0.62) DRD2DRD3PLAUMAPTNFKB1
Hydrochloric Acid SCHEMBL4108116 0.91 OPRK1 (0.61) DRD2DRD3PLAUMAPTNFKB1
Hydrochloric Acid SCHEMBL4117494 0.91 OPRK1 (0.61) DRD2DRD3PLAUMAPTNFKB1
Hydrochloric Acid SCHEMBL4108112 0.91 OPRK1 (0.61) DRD2DRD3PLAUMAPTNFKB1
SCHEMBL419457 0.84 CA1 (0.50) PNMTKDM1A
SCHEMBL615229 0.84 CA1 (0.50) PNMTKDM1A

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 16 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
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
US-8716285-B2 N-hydroxy-benzamids for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2014-05-06 US 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
US-20120065204-A1 NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US 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
WO-2012031993-A1 NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 WO disclosed
CN-1159292-C Aryl substituted cyclic amines as selective dopamine D3 ligands �������Ŷ���Լ��������˾ 2004-07-28 CN disclosed
US-6084130-A FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2000-07-04 US disclosed
EP-0923542-A1 ARYL SUBSTITUTED CYCLIC AMINES AS SELECTIVE DOPAMINE D3 LIGANDS PHARMACIA & UPJOHN COMPANY (US) 1999-06-23 EP disclosed
CN-1217711-A Aryl substituted cyclic amines as selective dopamine D3 ligands UPJOHN CO (US) 1999-05-26 CN disclosed
WO-1997045403-A1 ARYL SUBSTITUTED CYCLIC AMINES AS SELECTIVE DOPAMINE D3 LIGANDS PHARMACIA & UPJOHN COMPANY (US) 1997-12-04 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 DRD2 3102/4885DRD3 3127/4885PLAU 3653/4885

“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.