SCHEMBL10247583

SCHEMBL10247583

O=C(Cn1cncn1)c1ccc2ccccc2c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
PTPN1 P18031 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.48
GAA P10253 1/20 0.47
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
CBX7 O95931 1/20 0.46
CDYL2 Q8N8U2 1/20 0.46
CDYL Q9Y232 1/20 0.46
CDY1; CDY1B Q9Y6F8 1/20 0.46
CYP19A1 P11511 3/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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 SCHEMBL411984 0.99 HPGD (0.49) HPGDSMN1; SMN2KDM4EALDH1A1PTPN1
SCHEMBL5066568 0.82 CYP19A1 (0.59) SMN1; SMN2ALDH1A1POLBGAAKMT2A
Hydrochloric Acid SCHEMBL412860 0.80 CYP19A1 (0.57) SMN1; SMN2ALDH1A1POLBGAAKMT2A
SCHEMBL407191 0.79 ALDH1A1 (0.55) SMN1; SMN2KDM4EALDH1A1PTPN1LMNA
SCHEMBL17208333 0.79 KDM4E (0.50) SMN1; SMN2KDM4EALDH1A1HTTKMT2A
SCHEMBL31055006 0.78 SMN1; SMN2 (0.54) HPGDSMN1; SMN2KDM4EALDH1A1PTPN1
SCHEMBL3640866 0.78 MAPT (0.49) KDM4EALDH1A1LMNAPOLBGAA
SCHEMBL10685602 0.78 POLB (0.44) HPGDALDH1A1LMNAPOLBGAA
SCHEMBL10685610 0.78 POLB (0.44) HPGDALDH1A1LMNAPOLBGAA
SCHEMBL9996069 0.77 ALDH1A1 (0.51) ALDH1A1POLBGAAHTTKMT2A

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 9 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
WO-2008151437-A1 HEME-OXYGENASE INHIBITORS AND USE OF THE SAME IN THE TREATMENT OF CANCER AND DISEASES OF THE CENTRAL NERVOUS SYSTEM OSTA BIOTECHNOLOGIES (CA) 2008-12-18 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 (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 HPGD 14/4885SMN1; SMN2 213/4885KDM4E 4780/4885
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 HPGD 22/4885SMN1; SMN2 95/4885KDM4E 4355/4885
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 HPGD 22/4885SMN1; SMN2 95/4885KDM4E 4355/4885
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 HPGD 36/4885SMN1; SMN2 122/4885KDM4E 4294/4885

“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.