SCHEMBL10079693

SCHEMBL10079693

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
PLA2G7 Q13093 2/20 0.48
ESRRG P62508 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
TP53 P04637 2/20 0.43
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
NSD2 O96028 1/20 0.41
AURKA O14965 1/20 0.40

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
SCHEMBL10079099 0.90 SRC (0.44) ALDH1A1TP53NPC1RAB9AMEN1
SCHEMBL12332996 0.88 F10 (0.46) ESRRGTRPV1TP53NPC1RAB9A
SCHEMBL10079425 0.88 EGFR (0.37) ALDH1A1PLA2G7TP53POLBNPC1
SCHEMBL10059698 0.87 ALDH1A1 (0.46) ALDH1A1PLA2G7TP53POLBTHRB
SCHEMBL12333101 0.87 NPC1 (0.40) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL10078775 0.84 PLAU (0.44) ALDH1A1POLBNPC1RAB9AMEN1
SCHEMBL13635579 0.84 ALDH1A1 (0.48) ALDH1A1PLA2G7TP53POLBNPC1
SCHEMBL10079838 0.83 ESRRG (0.43) ALDH1A1PLA2G7ESRRGTP53POLB
SCHEMBL10079691 0.82 MAPT (0.55) TRPV1NPC1RAB9AMEN1KMT2A
SCHEMBL10079424 0.81 RAB9A (0.45) ALDH1A1TP53POLBNPC1RAB9A

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 358/4885PLA2G7 1159/4885ESRRG 1232/4885

“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.