Sugi Predict

Sugi Predict / Compounds / SCHEMBL4167668

SCHEMBL4167668

SCHEMBL4167668

COc1cccc2oc(=O)c3c(C)c([N+](=O)[O-])ccc3c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.53
▸ MAOA P21397 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 3/20 0.43
▸ NQO1 P15559 1/20 0.43
▸ CYP2A6 P11509 1/20 0.43
▸ RAB9A P51151 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ EDNRA P25101 1/20 0.42
▸ ELANE P08246 1/20 0.42
▸ ESR1 P03372 1/20 0.41
▸ KDM5A P29375 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GAA P10253 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
SCHEMBL4169359 0.82 CSNK2A2 (0.54) ARMAOATDP1MAPTESR1
SCHEMBL7233246 0.76 HTT (0.51) ARMAOATDP1ALDH1A1MAPT
SCHEMBL7232234 0.73 AR (0.48) ARMAOAALDH1A1MAPTNQO1
SCHEMBL943484 0.71 TDP1 (0.69) TDP1ALDH1A1MAPTRAB9ALMNA
SCHEMBL29391066 0.71 TDP1 (0.69) TDP1ALDH1A1MAPTRAB9ALMNA
SCHEMBL11855682 0.71 NQO1 (0.60) ARMAOAALDH1A1MAPTNQO1
SCHEMBL28307481 0.70 ALDH1A1 (0.58) MAOATDP1ALDH1A1RAB9ALMNA
SCHEMBL10593907 0.70 MAOA (0.66) ARMAOAALDH1A1MAPTNQO1
SCHEMBL6295048 0.70 AR (0.53) ARMAOAALDH1A1MAPTNQO1
SCHEMBL7233667 0.67 TDP1 (0.52) ARMAOATDP1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203725-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED 2009-08-13 — — US claimed
WO-2007075884-A2 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-07-05 — — WO claimed
US-20090203725-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED 2009-08-13 — — US disclosed
US-20090203725-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED 2009-08-13 — — US disclosed
WO-2007075884-A2 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-07-05 — — WO disclosed
WO-2007075884-A2 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-07-05 — — WO 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-20090203725-A1 Androgen Receptor Modulator Compounds and Methods AR, NR5A1, SHBG AR 1/4885MAOA 1616/4885TDP1 4238/4885

“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.