SCHEMBL13348658

SCHEMBL13348658

CSc1ccc2cnnc(O)c2n1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
IDO1 P14902 1/20 0.30

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
SCHEMBL13271240 0.79 CCR1 (0.48) ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL13348672 0.73 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL13313419 0.71 POLB (0.35)
SCHEMBL13348670 0.70 ALDH1A1 (0.33) ALDH1A1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL13271296 0.68 KDM4E (0.50) ALDH1A1
SCHEMBL13313421 0.68 CCR1 (0.35)
SCHEMBL13271293 0.68 CCR1 (0.53) ALDH1A1
SCHEMBL13348638 0.64 MAP4K4 (0.31) ALDH1A1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL30557034 0.64 MMP2 (0.48) ALDH1A1CYP3A4ALOX12HIF1A
SCHEMBL13818448 0.61 RAB9A (0.50) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LIMITED (AU) 2010-06-24 US disclosed
US-7692011-B2 8-hydroxy and 8-mercapto quinazolinones PRANA BIOTECHNOLOGY LIMITED (AU) 2010-04-06 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 (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-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS ACHE, PSEN1, PSEN2 ALDH1A1 703/4885CYP1A2 1906/4885CYP3A4 3007/4885

“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.