Sugi Predict

Sugi Predict / Compounds / SCHEMBL11929993

SCHEMBL11929993

SCHEMBL11929993

CC(C)(C)c1nc2cc(C(F)(F)F)ccc2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ CNR2 P34972 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ AGPAT2 O15120 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ PIM2 Q9P1W9 1/20 0.40
▸ HDAC3 O15379 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ UTRN P46939 1/20 0.38
▸ ELANE P08246 1/20 0.38
▸ FBP1 P09467 1/20 0.37
▸ HSPD1 P10809 1/20 0.37
▸ PTPN2 P17706 1/20 0.37
▸ PTPN1 P18031 1/20 0.37

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
SCHEMBL2706413 0.88 NPC1 (0.49) NPC1RAB9AGFERCNR2LMNA
SCHEMBL21130277 0.87 ALDH1A1 (0.41) LMNAKDM4EPIM1PIM2HDAC6
SCHEMBL8221220 0.84 F2RL3 (0.42) NPC1RAB9AGFERCNR2AGPAT2
SCHEMBL30524320 0.82 NPC1 (0.44) NPC1RAB9AGFERCNR2LMNA
SCHEMBL18174916 0.81 F2RL3 (0.46) NPC1RAB9AGFERCNR2LMNA
SCHEMBL7988985 0.79 L3MBTL1 (0.51) NPC1RAB9ALMNAAGPAT2KDM4E
SCHEMBL12937263 0.79 LMNA (0.43) NPC1RAB9AGFERLMNAKDM4E
SCHEMBL21130280 0.78 AKR1B1 (0.44) NPC1RAB9AGFERCNR2AGPAT2
SCHEMBL12301097 0.77 RAB9A (0.54) NPC1RAB9ALMNAKDM4E
SCHEMBL23641698 0.77 LMNA (0.41) NPC1RAB9AGFERLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021032209-A1 ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF 四川海思科制药有限公司 2021-02-25 — — WO disclosed
US-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 — — US disclosed
US-20130149281-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-06-13 — — US disclosed
US-8445527-B2 Organic compounds and their uses NOVARTIS AG (CH) 2013-05-21 — — US disclosed
US-20120231998-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-09-13 — — US disclosed
US-20120231998-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-09-13 — — US disclosed
US-8211932-B2 Organic compounds and their uses NOVARTIS AG (CH) 2012-07-03 — — US disclosed
US-20100331243-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-12-30 — — US disclosed
US-7825152-B2 serine protease inhibitors, for the treatment of hepatitis c virus infections NOVARTIS AG (CH) 2010-11-02 — — US disclosed
US-7825152-B2 serine protease inhibitors, for the treatment of hepatitis c virus infections NOVARTIS AG (CH) 2010-11-02 — — US disclosed
US-20100261708-A1 Diazepane Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 — — US disclosed
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 — — US disclosed
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 — — US disclosed
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 — — US disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 — — US disclosed
US-20070286842-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2007-12-13 — — US disclosed
US-20070286842-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2007-12-13 — — US disclosed
US-20070265281-A1 Organic Compounds and Their Uses COTTENS SYLVAIN 2007-11-15 — — 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 (10 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-20100331243-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 NPC1 177/4885RAB9A 4474/4885GFER 908/4885
US-20100240638-A1 Organic Compounds and their uses OAT, HAVCR2, CYP3A43 NPC1 196/4885RAB9A 3989/4885GFER 1881/4885
US-20130149281-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, HAVCR2, CPT1A NPC1 27/4885RAB9A 3121/4885GFER 2255/4885
US-20070286842-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 NPC1 177/4885RAB9A 4474/4885GFER 908/4885
US-20190194179-A1 ANTIBIOTIC COMPOUNDS B3GNT2, RPN2, RPN1 NPC1 114/4885RAB9A 1688/4885GFER 3380/4885
US-20100261708-A1 Diazepane Compounds Which Modulate The CB2 Receptor CNR1, CNR2, BDKRB2 NPC1 1695/4885RAB9A 3016/4885GFER 3118/4885
US-20080045530-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 NPC1 177/4885RAB9A 4474/4885GFER 908/4885
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 NPC1 177/4885RAB9A 4474/4885GFER 908/4885
US-20070265281-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 NPC1 177/4885RAB9A 4474/4885GFER 908/4885
US-20120231998-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 NPC1 177/4885RAB9A 4474/4885GFER 908/4885

“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.