SCHEMBL4264640

SCHEMBL4264640

O=C1COc2ccc(C(=O)CNC(=O)c3cccnc3)cc2N1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.56
▸ MAPT P10636 3/20 0.56
▸ ROCK2 O75116 3/20 0.56
▸ LMNA P02545 1/20 0.53
▸ TSHR P16473 1/20 0.52
▸ PKM P14618 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ HPGD P15428 1/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CYP19A1 P11511 2/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47

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
SCHEMBL14073285 0.84 HPGD (0.65) ALDH1A1ROCK2TSHRHPGDCYP1A2
SCHEMBL14072968 0.82 TSHR (0.66) ALDH1A1MAPTROCK2LMNATSHR
SCHEMBL14073571 0.81 ALDH1A1 (0.63) ALDH1A1MAPTHPGDCYP1A2CYP3A4
SCHEMBL29195071 0.78 ALDH1A1 (0.65) ALDH1A1MAPTLMNATSHRPKM
SCHEMBL14072982 0.75 TSHR (0.71) ALDH1A1MAPTROCK2LMNATSHR
SCHEMBL14073783 0.74 CYP3A4 (0.70) ALDH1A1MAPTROCK2LMNAHPGD
SCHEMBL14073007 0.74 ROCK2 (0.63) ALDH1A1MAPTROCK2LMNATSHR
SCHEMBL4724873 0.74 ALDH1A1 (0.73) ALDH1A1MAPTLMNATSHRPKM
SCHEMBL4295545 0.73 ALDH1A1 (0.71) ALDH1A1MAPTTSHRPKMGAA
SCHEMBL531798 0.73 TSHR (0.74) ALDH1A1MAPTLMNATSHRPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2009-02-26 — — US disclosed
CN-101365696-A Compounds and compositions as modulators of steroid hormone nuclear receptors IRM LLC (BM) 2009-02-11 — — CN disclosed
EP-1778242-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2007-05-02 — — EP disclosed
WO-2006015259-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2006-02-09 — — 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-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS NR5A1, ESRRA, NR3C1 ALDH1A1 3483/4885MAPT 3273/4885ROCK2 3715/4885

“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.

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