SCHEMBL2498096

SCHEMBL2498096

CN(C)C(=O)[C@@H]1C[C@@H](O)CN1C1(c2cccc3c2OCO3)C(=O)Nc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.37
ALPL P05186 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
AVPR2 P30518 2/20 0.34
OXTR P30559 2/20 0.34
AVPR1A P37288 2/20 0.34
AVPR1B P47901 2/20 0.34
GPR65 Q8IYL9 1/20 0.34
MAPT P10636 2/20 0.33
PGR P06401 2/20 0.33
AKR1B1 P15121 1/20 0.32
EP300 Q09472 1/20 0.32
ACHE P22303 2/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL2495336 0.88 BRD4 (0.41) BRD4ALDH1A1CYP3A4CYP2C19AVPR2
SCHEMBL2498353 0.87 BRD4 (0.39) BRD4CYP2C19AVPR2OXTRAVPR1A
SCHEMBL2494027 0.87 AVPR1A (0.44) BRD4AVPR2OXTRAVPR1AAVPR1B
SCHEMBL2496752 0.87 L3MBTL1 (0.39) BRD4ALPLALDH1A1AVPR2OXTR
SCHEMBL2493428 0.85 BRD4 (0.38) BRD4ALDH1A1AVPR2OXTRAVPR1A
SCHEMBL2496940 0.83 BRD4 (0.38) BRD4AVPR2OXTRAVPR1AAVPR1B
SCHEMBL2495051 0.83 AVPR1A (0.42) BRD4AVPR2OXTRAVPR1AAVPR1B
SCHEMBL2497539 0.81 AVPR1A (0.38) BRD4ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL2497606 0.79 AVPR1A (0.36) BRD4CYP2C9AVPR2OXTRAVPR1A
SCHEMBL2499579 0.75 AVPR1A (0.45) BRD4AVPR2OXTRAVPR1AAVPR1B

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 BRD4 822/4885ALPL 4383/4885ALDH1A1 2628/4885

“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.