SCHEMBL9909666

SCHEMBL9909666

COC(=O)c1ccc(-c2nc(N3CCCCC3)sc2C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
NPSR1 Q6W5P4 4/20 0.54
HTT P42858 3/20 0.54
DHODH Q02127 1/20 0.51
SMN1; SMN2 Q16637 6/20 0.49
TDP1 Q9NUW8 2/20 0.49
ALOX5 P09917 1/20 0.49
MAPT P10636 4/20 0.48
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
AR P10275 1/20 0.47
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
TSHR P16473 1/20 0.44
MYC P01106 1/20 0.44
WDR5 P61964 1/20 0.44
GLA P06280 1/20 0.43

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
SCHEMBL27648946 0.87 DHODH (0.48) ALDH1A1NPSR1HTTDHODHSMN1; SMN2
SCHEMBL9909667 0.86 ALDH1A1 (0.55) ALDH1A1NPSR1HTTSMN1; SMN2TDP1
SCHEMBL1146996 0.82 CKS1B (0.46) ALDH1A1DHODHSMN1; SMN2ALOX5MAPT
SCHEMBL19051366 0.77 AR (0.74) ALDH1A1NPSR1HTTSMN1; SMN2TDP1
SCHEMBL1146655 0.76 KMT2A (0.52) ALDH1A1NPSR1HTTSMN1; SMN2TDP1
SCHEMBL21875361 0.76 ALDH1A1 (0.44) ALDH1A1NPSR1HTTSMN1; SMN2MAPT
SCHEMBL1146780 0.75 RARA (0.53) ALDH1A1NPSR1HTTSMN1; SMN2TDP1
SCHEMBL27846542 0.74 AR (0.41) ALDH1A1NPSR1HTTDHODHSMN1; SMN2
SCHEMBL1146444 0.74 RARA (0.52) ALDH1A1NPSR1HTTSMN1; SMN2TDP1
SCHEMBL1935470 0.74 CHEK1 (0.52) ALDH1A1NPSR1HTTSMN1; SMN2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334867-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2017-11-23 US disclosed
US-20170166538-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2017-06-15 US disclosed
US-9428517-B2 Protease inhibitors MEDIVIR AB (SE) 2016-08-30 US disclosed
US-20160068539-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2016-03-10 US disclosed
US-9200006-B2 Protease inhibitors MEDIVIR AB (SE) 2015-12-01 US disclosed
US-20140221654-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2014-08-07 US disclosed
US-8735395-B2 Protease inhibitors MEDIVIR AB (SE) 2014-05-27 US disclosed
US-20130231349-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2013-09-05 US disclosed
US-8466158-B2 Cysteine protease inhibitors MEDIVIR AB (SE) 2013-06-18 US disclosed
US-8426421-B2 Protease inhibitors MEDIVIR AB (SE) 2013-04-23 US disclosed
US-20120289519-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2012-11-15 US disclosed
US-20120220602-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2012-08-30 US disclosed
US-8242119-B2 Protease inhibitors MEDIVIR AB (SE) 2012-08-14 US disclosed
US-8198283-B2 Cysteine protease inhibitors MEDIVIR AB (SE) 2012-06-12 US disclosed
US-20110105524-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2011-05-05 US disclosed
US-20110039862-A1 Protease Inhibitors MEDIVIR AB (SE) 2011-02-17 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 (9 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-20120289519-A1 PROTEASE INHIBITORS F2RL1, F2RL3, PREP ALDH1A1 1507/4885NPSR1 1120/4885HTT 2619/4885
US-20110105524-A1 CYSTEINE PROTEASE INHIBITORS CTSK, CTSL, CTSV ALDH1A1 3386/4885NPSR1 2421/4885HTT 2591/4885
US-20160068539-A1 PROTEASE INHIBITORS CTSK, CTSF, CTSS ALDH1A1 3140/4885NPSR1 444/4885HTT 2474/4885
US-20170334867-A1 PROTEASE INHIBITORS CTSK, MMP26, MMP3 ALDH1A1 3144/4885NPSR1 703/4885HTT 2360/4885
US-20110039862-A1 Protease Inhibitors CTSK, CTSF, CTSS ALDH1A1 3165/4885NPSR1 446/4885HTT 2465/4885
US-20170166538-A1 PROTEASE INHIBITORS MMP8, CTSK, CTSS ALDH1A1 3184/4885NPSR1 414/4885HTT 2752/4885
US-20120220602-A1 CYSTEINE PROTEASE INHIBITORS CTSK, CTSL, CTSV ALDH1A1 3386/4885NPSR1 2421/4885HTT 2591/4885
US-20130231349-A1 PROTEASE INHIBITORS CTSK, CTSF, CTSS ALDH1A1 3165/4885NPSR1 446/4885HTT 2465/4885
US-20140221654-A1 PROTEASE INHIBITORS CTSK, CTSF, CTSS ALDH1A1 3140/4885NPSR1 444/4885HTT 2474/4885

“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.