SCHEMBL2909010

SCHEMBL2909010

CNCc1csc(N(C)C(=O)O)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 3/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 5/20 0.36
NPC1 O15118 4/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
GRM1 Q13255 2/20 0.35
SLC12A5 Q9H2X9 2/20 0.34
CYP2D6 P10635 1/20 0.34
CFTR P13569 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6792988 0.78 KMT2A (0.44) KMT2AMEN1MAPTGAARAB9A
SCHEMBL14942657 0.75 KMT2A (0.35) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL21229023 0.74 MEN1 (0.57) KMT2AMEN1MAPTGAARAB9A
SCHEMBL9955496 0.73 SLC12A5 (0.49) KMT2AMEN1MAPTGAARAB9A
SCHEMBL21813075 0.71 GRM1 (0.40) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL5879806 0.71 UCHL1 (0.37) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL367981 0.71 SMN1; SMN2 (0.51) KMT2AMEN1GAARAB9ANPC1
SCHEMBL2909009 0.70 RAB9A (0.39) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL1058191 0.70 MMP1 (0.35) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL23723505 0.69 SLC12A5 (0.46) KMT2AMEN1MAPTRAB9ANPC1

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 8 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
EP-2264032-B1 HIV PROTEASE INHIBITING SULFONAMIDES ABBVIE INC (US) 2013-08-07 EP disclosed
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2013-01-24 US disclosed
EP-2216334-B1 HIV protease inhibiting sulfonamides ABBOTT LAB (US) 2012-10-31 EP disclosed
EP-2264032-A2 Hiv protease inhibiting sulfonamides Abbott Laboratories (US) 2010-12-22 EP disclosed
EP-2216334-A1 Hiv protease inhibiting sulfonamides Abbott Laboratories (US) 2010-08-11 EP disclosed
EP-1709037-B1 HIV PROTEASE INHIBITING SULFONAMIDES ABBOTT LAB (US) 2009-12-23 EP disclosed
US-20050131042-A1 HIV protease inhibiting compounds ABBOTT LABORATORIES 2005-06-16 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-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS SERPINB1, HPN, DNPEP KMT2A 4151/4885MEN1 4515/4885MAPT 2176/4885
US-20050131042-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP KMT2A 4151/4885MEN1 4515/4885MAPT 2176/4885

“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.