SCHEMBL2498887

SCHEMBL2498887

COc1ccc(C)cc1C1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.47
ACHE P22303 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ADAMTS5 Q9UNA0 1/20 0.44
LMNA P02545 3/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
ALOX12 P18054 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
AKR1B1 P15121 1/20 0.41
MEN1 O00255 1/20 0.41
PGR P06401 1/20 0.40
BRD4 O60885 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
CHEK1 O14757 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
SCHEMBL2496439 0.81 KMT2A (0.51) ALDH1A1MAPTKMT2AACHECYP3A4
SCHEMBL2497604 0.81 KMT2A (0.51) ALDH1A1MAPTKMT2AACHECYP3A4
SCHEMBL2497668 0.81 KMT2A (0.51) ALDH1A1MAPTKMT2ACYP3A4CYP2C9
SCHEMBL2496912 0.79 KMT2A (0.74) ALDH1A1MAPTKMT2ACYP3A4CYP2C19
SCHEMBL2496535 0.78 KMT2A (0.48) ALDH1A1MAPTKMT2AACHECYP3A4
SCHEMBL11042537 0.75 KMT2A (0.47) ALDH1A1MAPTKMT2AACHECYP3A4
SCHEMBL2495393 0.74 KMT2A (0.57) KMT2AACHEADAMTS5AKR1B1MEN1
SCHEMBL2495299 0.73 MAPT (0.45) ALDH1A1MAPTKMT2AACHECYP3A4
SCHEMBL28227469 0.73 ALDH1A1 (0.57) ALDH1A1MAPTKMT2AACHECYP3A4
SCHEMBL2496356 0.71 KMT2A (0.51) ALDH1A1MAPTKMT2AADAMTS5LMNA

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 ALDH1A1 2628/4885MAPT 672/4885KMT2A 1662/4885

“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.