SCHEMBL10247588

SCHEMBL10247588

O=C(Cn1cncn1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.59
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
HSP90AA1 P07900 1/20 0.56
GSK3B P49841 1/20 0.50
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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 SCHEMBL410080 0.99 CYP19A1 (0.58) CYP19A1GAAMAPTHSP90AA1KDM4E
SCHEMBL11234420 0.82 L3MBTL1 (0.47) CYP19A1GAAMAPTHSP90AA1KDM4E
SCHEMBL11234416 0.82 L3MBTL1 (0.47) CYP19A1GAAMAPTHSP90AA1KDM4E
SCHEMBL11231464 0.79 KDM4E (0.45) CYP19A1GAAMAPTHSP90AA1KDM4E
SCHEMBL412906 0.79 HDAC1 (0.49) CYP19A1GAAMAPTGSK3B
SCHEMBL7293623 0.79 HTT (0.63) CYP19A1MAPTGSK3BKDM4E
SCHEMBL673406 0.79 LMNA (0.53) CYP19A1MAPTHSP90AA1
SCHEMBL6558375 0.79 CYP1A2 (0.59) CYP19A1MAPTHSP90AA1KDM4E
SCHEMBL5066568 0.79 CYP19A1 (0.59) CYP19A1GAAMAPTHSP90AA1
Hydrochloric Acid SCHEMBL409501 0.78 HTT (0.61) CYP19A1MAPTKDM4E

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 8 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-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-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 CYP19A1 884/4885GAA 1655/4885MAPT 889/4885
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 CYP19A1 641/4885GAA 1142/4885MAPT 549/4885
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 CYP19A1 641/4885GAA 1142/4885MAPT 549/4885
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 CYP19A1 614/4885GAA 1304/4885MAPT 424/4885

“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.