SCHEMBL2496439

SCHEMBL2496439

COc1ccc(C)cc1C1(O)C(=O)Nc2ccc(I)cc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
ALOX12 P18054 1/20 0.46
BRD4 O60885 4/20 0.43
POLB P06746 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
ADAMTS5 Q9UNA0 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CASP6 P55212 1/20 0.36
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
ACHE P22303 1/20 0.35
AKR1B1 P15121 1/20 0.34

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
SCHEMBL2497668 0.85 KMT2A (0.51) KMT2AALDH1A1GAAMAPTKDM4E
SCHEMBL2497604 0.85 KMT2A (0.51) KMT2AALDH1A1GAAMAPTKDM4E
SCHEMBL2678998 0.85 KMT2A (0.72) KMT2AALDH1A1GAAMAPTKDM4E
SCHEMBL2496912 0.83 KMT2A (0.74) KMT2AALDH1A1GAAMAPTKDM4E
SCHEMBL2496535 0.82 KMT2A (0.48) KMT2AALDH1A1GAAMAPTKDM4E
SCHEMBL2498887 0.81 ALDH1A1 (0.48) KMT2AALDH1A1GAAMAPTKDM4E
SCHEMBL11042537 0.78 KMT2A (0.47) KMT2AALDH1A1GAAMAPTKDM4E
SCHEMBL2495393 0.78 KMT2A (0.57) KMT2ABRD4ADAMTS5ACHEAKR1B1
SCHEMBL2495299 0.77 MAPT (0.45) KMT2AALDH1A1GAAMAPTKDM4E
SCHEMBL5858048 0.77 KMT2A (0.50) KMT2APOLBADAMTS5CASP6

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 KMT2A 1662/4885ALDH1A1 2628/4885GAA 3124/4885

“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.