SCHEMBL486240

SCHEMBL486240

COc1ccc(NC2=CC(=O)CC(C)(C)C2)cc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.74
KMT2A Q03164 4/20 0.71
TSHR P16473 3/20 0.69
ALDH1A1 P00352 3/20 0.68
POLB P06746 2/20 0.68
HSD17B10 Q99714 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.63
KDM4E B2RXH2 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.62
GAA P10253 2/20 0.61
HTT P42858 1/20 0.60
MEN1 O00255 3/20 0.57
MAPT P10636 1/20 0.55

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
SCHEMBL28366141 0.84 TSHR (0.64) RECQLKMT2ATSHRALDH1A1POLB
SCHEMBL28366172 0.81 ALDH1A1 (0.72) RECQLKMT2ATSHRALDH1A1POLB
SCHEMBL486586 0.81 ALDH1A1 (0.72) RECQLKMT2ATSHRALDH1A1POLB
SCHEMBL28362474 0.81 ALDH1A1 (0.72) RECQLKMT2ATSHRALDH1A1POLB
SCHEMBL486053 0.81 ALDH1A1 (0.71) RECQLKMT2ATSHRALDH1A1POLB
SCHEMBL28362330 0.78 L3MBTL1 (1.00) RECQLKMT2ATSHRALDH1A1POLB
SCHEMBL25439916 0.77 GAA (0.79) RECQLKMT2AALDH1A1POLBHSD17B10
SCHEMBL16752708 0.77 GAA (0.50) RECQLKMT2ATSHRALDH1A1POLB
SCHEMBL16752707 0.77 GAA (0.50) RECQLKMT2ATSHRALDH1A1POLB
SCHEMBL16784518 0.76 MEN1 (0.73) RECQLKMT2ATSHRALDH1A1POLB

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 10 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
CN-110713454-A Nitro-substituted indole compound and preparation method thereof 南京工业大学 2020-01-21 CN disclosed
EP-2855441-B1 IMINO COMPOUNDS AS PROTECTING AGENTS AGAINST ULTRAVIOLET RADIATIONS ELKIMIA INC (CA) 2018-04-11 EP disclosed
US-9487474-B2 Imino compounds as protecting agents against ultraviolet radiations Elkimia, Inc. (CA) 2016-11-08 US disclosed
US-20150152046-A1 IMINO COMPOUNDS AS PROTECTING AGENTS AGAINTS ULTRAVIOLET RADIATIONS ELKIMIA (CA) 2015-06-04 US 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 RECQL 509/4885KMT2A 776/4885TSHR 527/4885
US-20150152046-A1 IMINO COMPOUNDS AS PROTECTING AGENTS AGAINTS ULTRAVIOLET RADIATIONS ERCC4, ERCC1, RAD51 RECQL 112/4885KMT2A 2357/4885TSHR 4308/4885

“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.