SCHEMBL2909009

SCHEMBL2909009

CNCc1csc(CNC(=O)O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 4/20 0.38
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 2/20 0.37
ALOX15 P16050 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 1/20 0.36
GFER P55789 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSP90AA1 P07900 1/20 0.36
KLKB1 P03952 2/20 0.36
KLK1 P06870 1/20 0.36
F2 P00734 1/20 0.36
FPR3 P25089 1/20 0.36

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
SCHEMBL25775909 0.82 CDK4 (0.33) RAB9AHDAC1HDAC6KDM4ELMNA
SCHEMBL19815098 0.79 GABRA5 (0.42) RAB9AHDAC1HDAC6KDM4ELMNA
SCHEMBL21229105 0.77 SMN1; SMN2 (0.45) RAB9ALMNANPC1ALDH1A1MEN1
SCHEMBL7091844 0.75 SLC6A3 (0.42) RAB9AHDAC1HDAC6KDM4ELMNA
SCHEMBL367981 0.75 SMN1; SMN2 (0.51) RAB9AKDM4ELMNANPC1ALDH1A1
SCHEMBL13936143 0.75 TDP1 (0.38) RAB9AHDAC1HDAC6LMNANPC1
SCHEMBL29999682 0.75 NPC1 (0.36) RAB9AHDAC1HDAC6KDM4ELMNA
SCHEMBL19259693 0.75 ROCK2 (0.41) RAB9AHDAC1HDAC6KDM4ELMNA
SCHEMBL5879802 0.74 GABRA5 (0.44) RAB9AHDAC1HDAC6LMNANPC1
SCHEMBL10425781 0.74 NUDT1 (0.35) RAB9AHDAC1HDAC6KDM4ELMNA

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 RAB9A 2012/4885HDAC1 552/4885HDAC6 1172/4885
US-20050131042-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP RAB9A 2012/4885HDAC1 552/4885HDAC6 1172/4885

“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.