SCHEMBL445196

SCHEMBL445196

O=C(Cl)OCc1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
CYP17A1 P05093 1/20 0.58
CYP19A1 P11511 1/20 0.58
KMT2A Q03164 3/20 0.55
LMNA P02545 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
MEN1 O00255 1/20 0.55
MAPT P10636 1/20 0.55
HTT P42858 1/20 0.55
NAPRT Q6XQN6 1/20 0.53
HDAC1 Q13547 1/20 0.50
NAMPT P43490 1/20 0.49
HSD11B1 P28845 1/20 0.49
RECQL P46063 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
TBXAS1 P24557 1/20 0.46
KDM4E B2RXH2 1/20 0.46
FAAH O00519 1/20 0.46

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
Hydrochloric Acid SCHEMBL28059160 0.98 ALDH1A1 (0.59) ALDH1A1CYP17A1CYP19A1KMT2ALMNA
SCHEMBL8635320 0.87 HSD11B1 (0.51) ALDH1A1CYP17A1CYP19A1KMT2ALMNA
SCHEMBL4245622 0.85 KMT2A (0.58) ALDH1A1CYP17A1CYP19A1KMT2ALMNA
SCHEMBL28711108 0.85 KMT2A (0.58) ALDH1A1CYP17A1CYP19A1KMT2ALMNA
SCHEMBL4245629 0.84 KMT2A (0.61) ALDH1A1CYP17A1CYP19A1KMT2ALMNA
SCHEMBL12230963 0.84 KMT2A (0.57) ALDH1A1CYP17A1CYP19A1KMT2ALMNA
SCHEMBL11256172 0.83 KMT2A (0.53) ALDH1A1CYP17A1CYP19A1KMT2ALMNA
Pyridine SCHEMBL4372448 0.82 ALDH1A1 (0.79) ALDH1A1KMT2ALMNATDP1
SCHEMBL2519199 0.82 ALDH1A1 (0.61) ALDH1A1CYP17A1CYP19A1KMT2ALMNA
SCHEMBL4667872 0.82 KMT2A (0.55) ALDH1A1CYP17A1CYP19A1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0060994-A1 Bis-hydroxyethylmercapto-1,10-decane derivative, process for its preparation, and pharmaceutical compositions containing it LABORATORI PROPHIN S.p.A. (IT) 1982-09-29 EP claimed
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
US-6323212-B1 METHOD FOR REDUCING PAIN, WHICH COMPRISES ADMINISTERING AN EFFECTIVE ANALGESIC AMOUNT OF THE MORPHINAN DERIVATIVE TORAY INDUSTRIES, INC. (JP) 2001-11-27 US disclosed
US-6277859-B1 HIGHLY SELECTIVE KAPPA-OPIOID AGONISTS USEFUL AS ANALGESICS AND DIURETICS WITH REDUCED PHYSIOLOGICAL SIDE EFFECTS TORAY INDUSTRIES, INC. (JP) 2001-08-21 US disclosed
US-6177438-B1 ANALGESICS, DIURETICS, ANTITUSSIVE AGENTS TORAY INDUSTRIES, INC. (JP) 2001-01-23 US disclosed
EP-0577847-B1 MORPHINAN DERIVATIVE AND MEDICINAL USE TORAY INDUSTRIES (JP) 1998-10-14 EP disclosed
EP-0846694-A1 Morphinan derivative and its pharmaceutical applications TORAY INDUSTRIES, INC. (JP) 1998-06-10 EP disclosed
EP-0663401-A1 MORPHINAN DERIVATIVE AND MEDICINAL USE TORAY INDUSTRIES, INC. (JP) 1995-07-19 EP disclosed
EP-0577847-A1 MORPHINAN DERIVATIVE AND MEDICINAL USE TORAY INDUSTRIES, INC. (JP) 1994-01-12 EP disclosed
EP-0060994-A1 Bis-hydroxyethylmercapto-1,10-decane derivative, process for its preparation, and pharmaceutical compositions containing it LABORATORI PROPHIN S.p.A. (IT) 1982-09-29 EP 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 ALDH1A1 158/4885CYP17A1 1535/4885CYP19A1 840/4885

“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.