SCHEMBL6450022

SCHEMBL6450022

CN(C(=O)[C@@H](N)Cc1ccccc1)c1ccc2c(c1)OCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
CIT O14578 1/20 0.45
TSHR P16473 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MMP9 P14780 1/20 0.44
PLAUR Q03405 1/20 0.44
LMNA P02545 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TRPM8 Q7Z2W7 2/20 0.44
PTPN1 P18031 1/20 0.43
TAAR1 Q96RJ0 2/20 0.43
SLC6A2 P23975 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
SCHEMBL29679416 1.00 HPGD (0.49) HPGDCITTSHRNPC1RAB9A
SCHEMBL16671758 1.00 HPGD (0.49) HPGDCITTSHRNPC1RAB9A
SCHEMBL6448020 0.88 ALDH1A1 (0.43) CITTSHRNPC1RAB9ALMNA
SCHEMBL16682036 0.84 MAPT (0.49) HPGDNPC1RAB9ASMN1; SMN2MMP9
SCHEMBL16670679 0.84 HPGD (0.47) HPGDNPC1RAB9ASMN1; SMN2MMP9
SCHEMBL29040576 0.83 PTPN1 (0.46) HPGDTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL16682076 0.82 MMP9 (0.46) HPGDNPC1RAB9ASMN1; SMN2MMP9
SCHEMBL30595262 0.81 HPGD (0.45) HPGDNPC1RAB9ASMN1; SMN2MMP9
SCHEMBL4562229 0.81 HPGD (0.45) HPGDNPC1RAB9ASMN1; SMN2MMP9
SCHEMBL4562228 0.81 HPGD (0.45) HPGDNPC1RAB9ASMN1; SMN2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10035760-B2 Inhibitors of human immunodeficiency virus replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2018-07-31 US disclosed
US-10035760-B2 Inhibitors of human immunodeficiency virus replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2018-07-31 US disclosed
US-10035760-B2 Inhibitors of human immunodeficiency virus replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2018-07-31 US disclosed
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 US disclosed
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 US disclosed
WO-2016172425-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE (NO.5) LIMITED (GB) 2016-10-27 WO disclosed
US-20160257645-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2016-09-08 US disclosed
US-20160257645-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2016-09-08 US disclosed
US-20160257645-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2016-09-08 US disclosed
EP-3060554-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION Bristol-Myers Squibb Company (US) 2016-08-31 EP disclosed
WO-2015061518-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-30 WO disclosed
WO-2015061518-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-30 WO disclosed
WO-2013006792-A1 ANTIVIRAL COMPOUNDS PHARMARESOURCES (SHANGHAI) CO., LTD. (CN) 2013-01-10 WO disclosed
WO-2012065062-A1 NOVEL ANTIVIRAL COMPOUNDS PHARMARESOURCES(SHANGHAI)CO., LTD. (CN) 2012-05-18 WO 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 (3 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-20160257645-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR1E, POLR1G HPGD 980/4885CIT 1518/4885TSHR 4845/4885
US-10035760-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR1G, POLR1E HPGD 814/4885CIT 1530/4885TSHR 4848/4885
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2H, POLR2E HPGD 1074/4885CIT 1229/4885TSHR 4830/4885

“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.