SCHEMBL10247326

SCHEMBL10247326

O=C(CCc1ccccc1)Cn1cnc(-c2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 1/20 0.50
CYP2E1 P05181 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2A6 P11509 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2B6 P20813 1/20 0.49
CYP2C19 P33261 1/20 0.49
HPGDS O60760 1/20 0.47
TAAR1 Q96RJ0 1/20 0.44
KDM4C Q9H3R0 2/20 0.44
KDM4A O75164 1/20 0.44
MMP12 P39900 1/20 0.43
KDM5A P29375 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
PDE10A Q9Y233 1/20 0.42
FFAR1 O14842 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
Hydrochloric Acid SCHEMBL406854 0.99 HMOX1 (0.49) HMOX1CYP2E1CYP3A4CYP2D6CYP2A6
SCHEMBL12060163 0.82 HMOX1 (0.51) HMOX1TAAR1
SCHEMBL1775378 0.82 HMOX1 (0.51) HMOX1TAAR1
SCHEMBL5717716 0.81 CYP2E1 (0.50) CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9
SCHEMBL1774727 0.80 TAAR1 (0.69) HMOX1TAAR1
SCHEMBL28802435 0.77 HPGDS (0.55) HMOX1CYP2E1CYP3A4CYP2D6CYP2A6
SCHEMBL1775282 0.76 HMOX1 (0.46) HMOX1TAAR1
SCHEMBL4419291 0.75 PDE10A (0.49) CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9
SCHEMBL10283948 0.75 HMOX1 (0.44) HMOX1TAAR1
SCHEMBL27582586 0.74 SMN1; SMN2 (0.52) CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9

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 12 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-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-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 HMOX1 2/4885CYP2E1 326/4885CYP3A4 2210/4885
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 HMOX1 1/4885CYP2E1 348/4885CYP3A4 2075/4885
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 HMOX1 1/4885CYP2E1 348/4885CYP3A4 2075/4885
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 HMOX1 1/4885CYP2E1 364/4885CYP3A4 2202/4885

“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.