SCHEMBL10059698

SCHEMBL10059698

Cc1cccc(NC(=O)c2cc3ccc(=O)n(-c4ccc(OC(C)C)cc4)c3[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
THRB P10828 1/20 0.44
TP53 P04637 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
PLA2G7 Q13093 2/20 0.42
TOP2A P11388 1/20 0.40
POLB P06746 2/20 0.40
KCNK3 O14649 2/20 0.39
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
PLAT P00750 1/20 0.39
KLKB1 P03952 1/20 0.39
PRSS1 P07477 1/20 0.39
EGFR P00533 1/20 0.39

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
SCHEMBL12305112 0.90 NPC1 (0.42) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL10059591 0.90 NPC1 (0.47) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL16474843 0.89 EGFR (0.53) ALDH1A1SMN1; SMN2TOP2AF2PLG
SCHEMBL16474876 0.88 TOP2A (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2TOP2A
SCHEMBL10059595 0.88 TOP2A (0.47) NPC1RAB9ASMN1; SMN2TOP2AF2
SCHEMBL16474832 0.87 SCN2A (0.41) ALDH1A1TP53TOP2AF2PLG
SCHEMBL16474863 0.87 EPHX2 (0.41) ALDH1A1TP53SMN1; SMN2PLA2G7TOP2A
SCHEMBL10059717 0.87 TOP2A (0.40) ALDH1A1TOP2AF2PLGPLAU
SCHEMBL10079693 0.87 ALDH1A1 (0.49) ALDH1A1THRBTP53NPC1RAB9A
SCHEMBL16474844 0.87 PLAU (0.53) ALDH1A1TOP2AF2PLGPLAU

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-20120014917-A1 METHODS OF TREATING HIV PATIENTS WITH ANTI-FIBROTICS UNIVERSITY OF MINNESOTA (US) 2012-01-19 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-20120014917-A1 METHODS OF TREATING HIV PATIENTS WITH ANTI-FIBROTICS MMP1, MMP8, CCL11 ALDH1A1 358/4885THRB 3672/4885TP53 2231/4885

“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.