SCHEMBL11996348

SCHEMBL11996348

CCc1nnc(S)n1-c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 2/20 0.41
CACNA2D1 P54289 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
PSMD14 O00487 1/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PKM P14618 1/20 0.34
HPGD P15428 2/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL2981458 0.84 VCP (0.43) TSHRSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL11384854 0.81 TLR8 (0.44) L3MBTL1TSHRSMN1; SMN2CACNA2D1ALDH1A1
SCHEMBL13703856 0.77 KDM4E (0.47) L3MBTL1KDM4EALOX15TSHRSMN1; SMN2
SCHEMBL6404027 0.75 L3MBTL1 (0.60) L3MBTL1TSHRSMN1; SMN2ALDH1A1LMNA
SCHEMBL6404748 0.74 GAA (0.60) L3MBTL1KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL6404661 0.74 KMT2A (0.51) L3MBTL1KDM4ESMN1; SMN2TP53ALDH1A1
SCHEMBL6403486 0.73 L3MBTL1 (0.49) L3MBTL1KDM4EALOX15SMN1; SMN2TP53
SCHEMBL11391926 0.72 KMT2A (0.49) L3MBTL1ALOX15TSHRALDH1A1LMNA
SCHEMBL6411070 0.72 L3MBTL1 (0.62) L3MBTL1KDM4ESMN1; SMN2TP53ALDH1A1
SCHEMBL6404676 0.72 L3MBTL1 (0.62) L3MBTL1KDM4ESMN1; SMN2TP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2353593-B1 Non-nucleoside reverse transcriptase inhibitors ARDEA BIOSCIENCES INC (US) 2012-08-22 EP disclosed
EP-2353593-A1 Non-nucleoside reverse transcriptase inhibitors Ardea Biosciences, Inc. (US) 2011-08-10 EP disclosed
EP-1545483-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES INC (US) 2011-04-06 EP disclosed
US-20080249131-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES, INC. (US) 2008-10-09 US disclosed
US-20080249131-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES, INC. (US) 2008-10-09 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-20080249131-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS POLRMT, TYMP, RNGTT L3MBTL1 1254/4885KDM4E 1315/4885ALOX15 1876/4885

“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.