SCHEMBL486053

SCHEMBL486053

CC1(C)CC(=O)C=C(Nc2ccccc2)C1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.71
KDM4E B2RXH2 1/20 0.70
L3MBTL1 Q9Y468 2/20 0.66
KMT2A Q03164 5/20 0.65
MEN1 O00255 4/20 0.63
TSHR P16473 4/20 0.63
HPGD P15428 2/20 0.63
PKM P14618 1/20 0.63
POLB P06746 1/20 0.62
HSD17B10 Q99714 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.61
APEX1 P27695 1/20 0.60
RECQL P46063 1/20 0.59

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
SCHEMBL28362332 0.85 ALDH1A1 (0.74) ALDH1A1KDM4EL3MBTL1KMT2AMEN1
SCHEMBL28362474 0.83 ALDH1A1 (0.72) ALDH1A1KDM4EL3MBTL1KMT2AMEN1
SCHEMBL486145 0.83 ALDH1A1 (1.00) ALDH1A1KDM4EL3MBTL1KMT2AMEN1
SCHEMBL28366172 0.83 ALDH1A1 (0.72) ALDH1A1KDM4EL3MBTL1KMT2AMEN1
SCHEMBL486586 0.83 ALDH1A1 (0.72) ALDH1A1KDM4EL3MBTL1KMT2AMEN1
SCHEMBL486421 0.82 KMT2A (0.67) ALDH1A1KDM4EL3MBTL1KMT2AMEN1
SCHEMBL486240 0.81 RECQL (0.74) ALDH1A1KDM4EL3MBTL1KMT2AMEN1
SCHEMBL28366142 0.81 ALDH1A1 (0.68) ALDH1A1KDM4EL3MBTL1KMT2AMEN1
SCHEMBL28362439 0.80 ALDH1A1 (0.67) ALDH1A1KDM4EL3MBTL1KMT2AMEN1
SCHEMBL28362330 0.80 L3MBTL1 (1.00) ALDH1A1KDM4EL3MBTL1KMT2AMEN1

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-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
EP-0214009-A2 Enaminones as potential prodrugs of primary and secondary amines MERCK & CO. INC. (US) 1987-03-11 EP disclosed
US-4064133-A 2-AMINOMETHYL-3-AMINO SUBSTITUTED, ANALGESICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-12-20 US disclosed
US-3969409-A ANALGESIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1976-07-13 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-20100056597-A1 INDOLEDIONE DERIVATIVE LIPE, IDO1, ADRA1A ALDH1A1 303/4885KDM4E 2365/4885L3MBTL1 333/4885

“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.