SCHEMBL9604651

SCHEMBL9604651

COc1cccc(-c2cnccc2-c2ncc(-c3ccc(C)cc3)o2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
KDM4E B2RXH2 4/20 0.54
HPGD P15428 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
HSD17B10 Q99714 6/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
KMT2A Q03164 3/20 0.51
TP53 P04637 3/20 0.51
GAA P10253 2/20 0.51
MEN1 O00255 2/20 0.51
STAT1 P42224 1/20 0.51
RPS6KA3 P51812 1/20 0.50
SLC22A12 Q96S37 1/20 0.45
PTPN1 P18031 3/20 0.43
PTPN2 P17706 2/20 0.43
PTPN6 P29350 2/20 0.43
CYP1A2 P05177 6/20 0.43
CYP3A4 P08684 6/20 0.43
CYP2D6 P10635 6/20 0.43

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
SCHEMBL9606209 0.93 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL30377760 0.93 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL9604648 0.89 NPC1 (0.54) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL1180099 0.77 KDM4E (0.68) ALDH1A1KDM4EHPGDSMN1; SMN2NPC1
SCHEMBL4884059 0.76 KDM4E (0.71) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL4883708 0.75 ALOX15 (0.60) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL16587429 0.75 RAB9A (0.64) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL272773 0.73 RAB9A (0.73) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL9604649 0.72 KDM4E (0.62) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL4871472 0.71 KDM4E (1.00) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120136029-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF 2-ARYL PYRIDYLAZOLES UNIVERSITY OF ARIZONA (US) 2012-05-31 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-20120136029-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF 2-ARYL PYRIDYLAZOLES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CDK2, CCNC ALDH1A1 1378/4885KDM4E 2610/4885HPGD 87/4885

“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.