SCHEMBL1775696

SCHEMBL1775696

CCOC(=O)Cc1nnn(CC(=O)CCc2ccccc2)n1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.63
ATM Q13315 1/20 0.63
HSD17B10 Q99714 1/20 0.63
CNR2 P34972 2/20 0.46
HMOX1 P09601 1/20 0.45
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ABCB1 P08183 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL18839696 0.84 PKM (0.74) PKMATMHSD17B10CNR2TP53
SCHEMBL1775579 0.77 HSD11B1 (0.49) HMOX1L3MBTL1ALDH1A1ABCB1TDP1
SCHEMBL15763344 0.75 HMOX1 (0.48) HSD17B10HMOX1CYP1A2CYP2C9CYP2C19
SCHEMBL7053357 0.74 PKM (0.59) PKMATMHSD17B10CNR2L3MBTL1
SCHEMBL14145932 0.74 PKM (0.79) PKMATMHSD17B10TP53L3MBTL1
SCHEMBL410721 0.74 HPGD (0.62) HMOX1TP53CYP1A2CYP2C9CYP2C19
SCHEMBL1774741 0.73 HMOX1 (0.48) CNR2HMOX1CYP1A2CYP2C9CYP2C19
SCHEMBL4852197 0.73 HPGD (0.62) PKMATMHSD17B10TP53L3MBTL1
SCHEMBL1774278 0.72 HMOX1 (0.47) CNR2HMOX1TP53CYP1A2CYP2C9
SCHEMBL7053350 0.72 HSD17B10 (0.52) PKMATMHSD17B10TP53CYP1A2

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
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-06-05 US disclosed
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-06-05 US disclosed
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-06-05 US disclosed
US-8513294-B2 Substituted imidazole derivatives and methods of use thereof for treating cancer OSTA BIOTECHNOLOGIES (CA) 2013-08-20 US disclosed
US-8513294-B2 Substituted imidazole derivatives and methods of use thereof for treating cancer OSTA BIOTECHNOLOGIES (CA) 2013-08-20 US disclosed
US-8513294-B2 Substituted imidazole derivatives and methods of use thereof for treating cancer OSTA BIOTECHNOLOGIES (CA) 2013-08-20 US disclosed
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEENS UNIVERSITY AT KINGSTON (CA) 2012-01-26 US disclosed
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEENS UNIVERSITY AT KINGSTON (CA) 2012-01-26 US disclosed
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 US disclosed
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 US disclosed
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 US disclosed
US-7943650-B2 Methods of treating cancer with imidazolyl compounds OSTA BIOTECHNOLOGIES (CA) 2011-05-17 US disclosed
US-7943650-B2 Methods of treating cancer with imidazolyl compounds OSTA BIOTECHNOLOGIES (CA) 2011-05-17 US disclosed
US-7943650-B2 Methods of treating cancer with imidazolyl compounds OSTA BIOTECHNOLOGIES (CA) 2011-05-17 US disclosed
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2009-07-09 US disclosed
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2009-07-09 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 (4 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-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System TXNRD2, HMOX1, HMOX2 PKM 1325/4885ATM 2038/4885HSD17B10 454/4885
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 PKM 888/4885ATM 1689/4885HSD17B10 612/4885
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 PKM 888/4885ATM 1689/4885HSD17B10 612/4885
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 PKM 769/4885ATM 1575/4885HSD17B10 619/4885

“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.