Sugi Predict

Sugi Predict / Compounds / SCHEMBL374938

SCHEMBL374938

SCHEMBL374938

Clc1nc(Br)cc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ CYP1B1 Q16678 1/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ CYP2A6 P11509 4/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ MAPK1 P28482 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ PMP22 Q01453 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ TSHR P16473 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ TRPM4 Q8TD43 1/20 0.35

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
SCHEMBL29601221 0.77 L3MBTL1 (0.46) ALDH1A1HSD17B10HIF1ACYP1B1L3MBTL1
SCHEMBL29751038 0.77 ALDH1A1 (0.42) ALDH1A1HSD17B10HIF1ACYP1B1L3MBTL1
SCHEMBL30133425 0.77 ALDH1A1 (0.42) ALDH1A1HSD17B10HIF1ACYP1B1L3MBTL1
SCHEMBL165745 0.77 L3MBTL1 (0.46) ALDH1A1HSD17B10HIF1ACYP1B1L3MBTL1
SCHEMBL901849 0.77 ALDH1A1 (0.42) ALDH1A1HSD17B10HIF1ACYP1B1L3MBTL1
SCHEMBL28962504 0.77 HTT (0.38) ALDH1A1CYP2A6CYP1A2MAPT
SCHEMBL30800385 0.77 HTT (0.38) ALDH1A1CYP2A6CYP1A2MAPT
SCHEMBL28810567 0.77 CYP2A6 (0.37) ALDH1A1L3MBTL1CYP2A6LMNA
SCHEMBL30129797 0.75 L3MBTL1 (0.41) ALDH1A1HSD17B10HIF1ACYP1B1L3MBTL1
SCHEMBL7882102 0.74 TRPM4 (0.45) ALDH1A1HSD17B10HIF1ACYP1B1L3MBTL1

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 109 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103814020-B Therapeutic activity composition and their application method 安吉奥斯医药品有限公司 2017-07-14 — — CN disclosed
US-9636375-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 — — US disclosed
US-9636375-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 — — US disclosed
US-9636375-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 — — US disclosed
US-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2017-03-09 — — US disclosed
EP-3107910-A1 NEW PHENYLAZETIDINE, CARBOXYLATE OR CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2016-12-28 — — EP disclosed
CN-103936819-B Hepatitis c virus inhibitors 百时美施贵宝公司 2016-11-16 — — CN disclosed
EP-2813500-B1 Intermediates for the preparation of hepatitis C virus inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-08-17 — — EP disclosed
US-20160067302-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 — — US disclosed
US-20160067302-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 — — US disclosed
WO-2005051410-A9 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2005-07-28 — — WO disclosed
US-20050143316-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-06-30 — — US disclosed
WO-2005054430-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-16 — — WO disclosed
WO-2005051410-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-09 — — WO disclosed
US-20050090432-A1 Macrocyclic isoquinoline peptide inhibitors of Hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY 2005-04-28 — — US disclosed
EP-1505963-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2005-02-16 — — EP disclosed
WO-2004094452-A2 MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 — — WO disclosed
US-20040106559-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-03 — — US disclosed
WO-2003099274-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 — — WO disclosed
WO-2003099274-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 — — 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 (5 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-20160067302-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 ALDH1A1 769/4885HSD17B10 553/4885HIF1A 3471/4885
US-20050090432-A1 Macrocyclic isoquinoline peptide inhibitors of Hepatitis C virus VIP, QPCT, HCCS ALDH1A1 4253/4885HSD17B10 3707/4885HIF1A 4108/4885
US-20050143316-A1 Hepatitis C virus inhibitors HAVCR2, HCCS, CTRB1 ALDH1A1 769/4885HSD17B10 553/4885HIF1A 3471/4885
US-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS NCOR1, NCOR2, NCOA1 ALDH1A1 600/4885HSD17B10 4050/4885HIF1A 198/4885
US-20040106559-A1 Hepatitis C virus inhibitors HAVCR2, HCCS, RNASE1 ALDH1A1 512/4885HSD17B10 735/4885HIF1A 3398/4885

“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.