SCHEMBL13536764

SCHEMBL13536764

C=Cc1ccc(-c2ccc(C=O)cc2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.51
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 3/20 0.38
MITF O75030 1/20 0.38
KLF5 Q13887 1/20 0.38
MEN1 O00255 2/20 0.38
TP53 P04637 2/20 0.38
KMT2A Q03164 2/20 0.38
BRD4 O60885 1/20 0.38
MAPT P10636 1/20 0.38
DRD1 P21728 2/20 0.37
POLB P06746 1/20 0.36
NPC1 O15118 5/20 0.36
RAB9A P51151 4/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL28682644 0.88 CYP11B1 (0.56) CYP11B1ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL30747787 0.88 CYP11B1 (0.56) CYP11B1ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL23110060 0.81 KMT2A (0.50) CYP11B1ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL10160338 0.81 POLB (0.48) CYP11B1ALDH1A1POLBLDHA
SCHEMBL31683812 0.80 CYP11B1 (0.47) CYP11B1ALDH1A1SMN1; SMN2KDM4EBRD4
SCHEMBL29574715 0.80 ALDH1A1 (0.50) ALDH1A1MEN1TP53KMT2AMAPT
SCHEMBL17366415 0.80 ALDH1A1 (0.50) ALDH1A1MEN1TP53KMT2AMAPT
SCHEMBL14355115 0.79 CYP11B1 (0.45) CYP11B1ALDH1A1MAPTPOLBNPC1
SCHEMBL16838738 0.78 HSD17B10 (0.54) CYP11B1ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL4425760 0.78 ALDH1A1 (0.54) CYP11B1ALDH1A1SMN1; SMN2KDM4EHPGD

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-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 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-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 CYP11B1 4123/4885ALDH1A1 3337/4885SMN1; SMN2 3324/4885

“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.