SCHEMBL19009075

SCHEMBL19009075

Cc1cc(NC(C)C)c2ccccc2n1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.59
HTT P42858 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CYP2C19 P33261 1/20 0.55
CYP1A2 P05177 1/20 0.55
NCF1 P14598 3/20 0.54
GALR3 O60755 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
RAD52 P43351 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51
NPC1 O15118 1/20 0.50
GUSB P08236 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL3056940 0.85 MEN1 (0.51) HTTMEN1KMT2AL3MBTL1CYP2C19
SCHEMBL1238925 0.80 CYP1A2 (0.60) HTTMEN1KMT2AL3MBTL1CYP2C19
SCHEMBL13230471 0.79 NR3C1 (0.46) NR4A2MEN1KMT2AL3MBTL1CYP1A2
SCHEMBL13437973 0.79 LATS1 (0.51) NR4A2
SCHEMBL6602282 0.79 NQO2 (0.61) NR4A2MEN1KMT2AL3MBTL1NCF1
SCHEMBL12763789 0.79 TLR7 (0.66) HTTMEN1KMT2AL3MBTL1CYP2C19
SCHEMBL10266503 0.79 NR4A2 (0.48) NR4A2L3MBTL1CYP2C19
SCHEMBL6609095 0.79 NR4A2 (0.48) NR4A2HTTMEN1KMT2AL3MBTL1
SCHEMBL6789826 0.79 CYP1A2 (0.58) HTTMEN1KMT2AL3MBTL1CYP2C19
SCHEMBL4903031 0.79 NQO2 (0.59) HTTMEN1KMT2AL3MBTL1CYP2C19

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-20180162867-A1 EIS INHIBITORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2018-06-14 US disclosed
US-20170174639-A1 EIS INHIBITORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2017-06-22 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 (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-20170174639-A1 EIS INHIBITORS ABCC1, ATP5ME, ABCG2 NR4A2 4159/4885HTT 4803/4885MEN1 3949/4885
US-20180162867-A1 EIS INHIBITORS EP300, ACAT1, ACAT2 NR4A2 4074/4885HTT 4813/4885MEN1 3656/4885

“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.