SCHEMBL12632572

SCHEMBL12632572

CC(=O)N(C)Cc1ccc2c(c1)OCO2

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.60
CYP3A4 P08684 2/20 0.59
HPGD P15428 2/20 0.57
TSHR P16473 2/20 0.54
ALDH1A1 P00352 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 2/20 0.49
MAPT P10636 1/20 0.49
HRH2 P25021 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL11390038 0.88 HPGD (0.64) HSP90AA1CYP3A4HPGDTSHRALDH1A1
SCHEMBL15219985 0.85 CYP3A4 (0.56) HSP90AA1CYP3A4TSHRALDH1A1CYP1A2
SCHEMBL8349898 0.82 TRPM8 (0.62) HSP90AA1CYP3A4HPGDTSHRALDH1A1
SCHEMBL19806127 0.80 HSP90AA1 (0.53) HSP90AA1CYP3A4HPGDTSHRALDH1A1
SCHEMBL11693746 0.80 HRH2 (0.55) HSP90AA1CYP3A4CYP1A2MEN1KMT2A
SCHEMBL16312618 0.80 HRH2 (0.55) HSP90AA1CYP3A4CYP1A2MAPTHRH2
SCHEMBL95064 0.79 HPGD (0.65) HSP90AA1CYP3A4HPGDTSHRALDH1A1
SCHEMBL6413796 0.79 HPGD (0.52) HSP90AA1CYP3A4HPGDTSHRALDH1A1
SCHEMBL6413801 0.79 HPGD (0.52) HSP90AA1CYP3A4HPGDTSHRALDH1A1
SCHEMBL10107755 0.78 HSP90AA1 (0.66) HSP90AA1CYP3A4HPGDTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110104186-A1 Small molecule immunopotentiators and assays for their detection NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2011-05-05 US disclosed
US-20110104186-A1 Small molecule immunopotentiators and assays for their detection NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2011-05-05 US disclosed
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 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-20110104186-A1 Small molecule immunopotentiators and assays for their detection ICOS, CD14, MAVS HSP90AA1 1324/4885CYP3A4 2903/4885HPGD 1635/4885

“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.