SCHEMBL21115735

SCHEMBL21115735

CC(C)(C)Cc1ccc2sc(-c3ccccc3)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.62
RAB9A P51151 9/20 0.59
NFKB1 P19838 7/20 0.59
NFKB2 Q00653 7/20 0.59
RELA Q04206 7/20 0.59
NPC1 O15118 7/20 0.59
HPGD P15428 3/20 0.59
STAT1 P42224 1/20 0.59
SMN1; SMN2 Q16637 7/20 0.59
PKM P14618 4/20 0.59
L3MBTL1 Q9Y468 2/20 0.56
MAPT P10636 6/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 3/20 0.50
GAA P10253 3/20 0.50
GLA P06280 2/20 0.50
TNF P01375 1/20 0.49
NOD1 Q9Y239 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL21115931 0.88 KDM4E (0.61) KDM4ERAB9ANFKB1NFKB2RELA
SCHEMBL28266928 0.84 KDM4E (0.63) KDM4ERAB9ANFKB1NFKB2RELA
SCHEMBL21941449 0.83 NPC1 (0.48) KDM4ERAB9ANFKB1NFKB2RELA
SCHEMBL9838440 0.83 KDM4E (0.67) KDM4ERAB9ANFKB1NFKB2RELA
SCHEMBL28265575 0.81 KDM4E (0.60) KDM4ERAB9ANFKB1NFKB2RELA
SCHEMBL697049 0.80 KDM4E (0.71) KDM4ERAB9ANFKB1NFKB2RELA
SCHEMBL28201482 0.80 KDM4E (0.67) KDM4ERAB9ANFKB1NFKB2RELA
SCHEMBL24906049 0.79 KDM4E (0.62) KDM4ERAB9ANFKB1NFKB2RELA
SCHEMBL12755312 0.79 TNF (0.68) KDM4ERAB9ANFKB1NFKB2RELA
SCHEMBL4905432 0.78 RAB9A (0.64) KDM4ERAB9ANFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190198769-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-06-27 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-20190198769-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ODC1, ETV6 KDM4E 961/4885RAB9A 2482/4885NFKB1 2981/4885

“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.