SCHEMBL2501554

SCHEMBL2501554

O=C1Nc2ccc([N+](=O)[O-])cc2C1(O)c1cccc2c1OCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.47
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 3/20 0.46
PGR P06401 3/20 0.41
ALOX5 P09917 1/20 0.40
LMNA P02545 1/20 0.38
SETD7 Q8WTS6 1/20 0.38
AKR1B1 P15121 1/20 0.38
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2492868 0.82 ALDH1A1 (0.53) ALDH1A1CYP3A4CYP2C19MAPTLMNA
SCHEMBL2496973 0.82 L3MBTL1 (0.52) ALPLALDH1A1CYP3A4CYP2C19MAPT
SCHEMBL2492745 0.82 ALDH1A1 (0.38) ALDH1A1MAPTLMNABRAFMEN1
SCHEMBL2496712 0.82 SMN1; SMN2 (0.44) ALDH1A1CYP2C19MAPTMEN1POLB
SCHEMBL2492740 0.82 IDO1 (0.41) ALDH1A1PGRMEN1KMT2AL3MBTL1
SCHEMBL2496902 0.79 PGR (0.40) ALDH1A1MAPTPGRRAF1BRAF
SCHEMBL2497599 0.77 MAOB (0.45) ALDH1A1MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL2498220 0.75 MDM2 (0.38) RAF1MEN1POLBKMT2A
SCHEMBL28227469 0.74 ALDH1A1 (0.57) ALPLALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL2496469 0.73 GSK3B (0.38) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030499-B2 1,3-dihydro-2H-indole-2-one compound and pyrrolidine-2-one compound fused with aromatic heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-10-04 US disclosed
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-25 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-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle AVPR1B, AVPR1A, AVPR2 ALPL 4383/4885ALDH1A1 2628/4885CYP3A4 1315/4885

“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.