SCHEMBL6840743

SCHEMBL6840743

CC(=O)N(C)Cc1nc(C)cs1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
ADAMTS5 Q9UNA0 1/20 0.37
MAPT P10636 2/20 0.36
HSP90AA1 P07900 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
POLB P06746 2/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NOS1 P29475 1/20 0.34
BCHE P06276 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
SCHEMBL2711948 0.79 NPC1 (0.48) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL6840526 0.77 CNR2 (0.44) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL2712655 0.77 NPC1 (0.45) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL3649205 0.75 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL3323237 0.74 HSD11B1 (0.57) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL166274 0.74 NPC1 (0.43) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL1398189 0.74 ADAMTS5 (0.43) ALDH1A1RAB9ANPC1ADAMTS5MAPT
SCHEMBL557412 0.74 KMT2A (0.45) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL3648036 0.73 RAB9A (0.42) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL168243 0.73 MEN1 (0.51) ALDH1A1KDM4EMEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653141-B2 HIV protease inhibiting compounds ABBVIE INC. (US) 2014-02-18 US disclosed
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2013-01-24 US disclosed
US-8193227-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2012-06-05 US disclosed
US-20110003827-A1 HIV protease inhibiting compounds ABBVIE INC. 2011-01-06 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-20110003827-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP ALDH1A1 2920/4885KDM4E 3048/4885MEN1 4515/4885
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS SERPINB1, HPN, DNPEP ALDH1A1 2920/4885KDM4E 3048/4885MEN1 4515/4885

“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.