SCHEMBL486694

SCHEMBL486694

CCNC1=CC(=O)CC(C)(C)C1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.74
MAPT P10636 1/20 0.66
MEN1 O00255 1/20 0.61
APEX1 P27695 1/20 0.61
KMT2A Q03164 1/20 0.61
GAA P10253 2/20 0.58
TSHR P16473 3/20 0.55
USP2 O75604 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
KDM4E B2RXH2 2/20 0.52
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL12869168 0.86 LMNA (0.83) LMNAMAPTMEN1APEX1KMT2A
SCHEMBL486324 0.85 LMNA (1.00) LMNAMAPTMEN1APEX1KMT2A
SCHEMBL28362540 0.82 MAPT (0.88) LMNAMAPTMEN1APEX1KMT2A
SCHEMBL5682463 0.80 LMNA (0.73) LMNAMAPTMEN1APEX1KMT2A
SCHEMBL9433082 0.80 MAPT (1.00) LMNAMAPTMEN1APEX1KMT2A
SCHEMBL12869188 0.79 LMNA (0.71) LMNAMAPTMEN1APEX1KMT2A
SCHEMBL486405 0.78 LMNA (0.59) LMNAMAPTMEN1APEX1KMT2A
SCHEMBL16752751 0.76 LMNA (0.58) LMNAMAPTMEN1APEX1KMT2A
SCHEMBL486184 0.76 MEN1 (1.00) LMNAMAPTMEN1APEX1KMT2A
SCHEMBL16773458 0.76 LMNA (0.57) LMNAMAPTMEN1APEX1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110713454-A Nitro-substituted indole compound and preparation method thereof 南京工业大学 2020-01-21 CN claimed
CN-110713454-B Nitro-substituted indole compound and preparation method thereof 南京工业大学 2022-12-09 CN disclosed
US-20220144769-A1 COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2022-05-12 US disclosed
CN-110713454-A Nitro-substituted indole compound and preparation method thereof 南京工业大学 2020-01-21 CN disclosed
EP-2145884-B1 INDOLEDIONE DERIVATIVE MSD KK (JP) 2014-08-06 EP disclosed
US-8106086-B2 Indoledione derivative MSD K.K. (JP) 2012-01-31 US disclosed
US-20100056597-A1 INDOLEDIONE DERIVATIVE MSD K.K. (JP) 2010-03-04 US disclosed
EP-2145884-A1 INDOLEDIONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-01-20 EP 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 (2 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-20100056597-A1 INDOLEDIONE DERIVATIVE LIPE, IDO1, ADRA1A LMNA 1165/4885MAPT 2831/4885MEN1 2086/4885
US-20220144769-A1 COMPOUND CBR3, SFXN3, CBR1 LMNA 4541/4885MAPT 4568/4885MEN1 1793/4885

“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.