SCHEMBL3469584

SCHEMBL3469584

O=C(O)N1Cc2cccc(Cl)c2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRAP1 Q12931 1/20 0.53
▸ NAMPT P43490 5/20 0.48
▸ TAS1R3 Q7RTX0 2/20 0.45
▸ TAS1R1 Q7RTX1 2/20 0.45
▸ TAS1R2 Q8TE23 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ AKR1C3 P42330 2/20 0.42
▸ AKR1C2 P52895 2/20 0.42
▸ AKR1C1 Q04828 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ AKR1B1 P15121 1/20 0.40
▸ NOTUM Q6P988 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40

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
Hydrochloric Acid SCHEMBL3469905 0.98 TRAP1 (0.52) TRAP1NAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL13082466 0.85 CYP2D6 (0.51) TRAP1TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL4530007 0.84 NOTUM (0.61) TRAP1NAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL11984159 0.81 HPGD (0.36) TRAP1TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL7946169 0.80 TRAP1 (0.49) TRAP1NAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL7946982 0.80 TRAP1 (0.52) TRAP1NAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL16637906 0.80 TRAP1 (0.43) TRAP1AKR1C3AKR1C1NOTUM
SCHEMBL23211894 0.80 TRAP1 (0.41) TRAP1NAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL4437645 0.79 ABHD6 (0.57) TRAP1AKR1C3NOTUM
SCHEMBL497487 0.79 TRAP1 (0.56) TRAP1NAMPTTAS1R3TAS1R1TAS1R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299021-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2012-10-30 — — US disclosed
US-20120208995-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION ARRAY BIOPHARMA, INC. (US) 2012-08-16 — — US disclosed
US-7932277-B2 Peptide inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-04-26 — — US disclosed
EP-2305695-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 — — EP disclosed
EP-2305697-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 — — EP disclosed
EP-2305696-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 — — EP disclosed
EP-2305698-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 — — EP disclosed
US-7829665-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2010-11-09 — — US disclosed
US-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-05-13 — — US disclosed
WO-2010045266-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-04-22 — — WO disclosed
US-20090297476-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-12-03 — — US disclosed
EP-2103623-A2 Novel macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2009-09-23 — — EP disclosed
US-20090169510-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-07-02 — — US disclosed
US-20090148407-A1 Novel Macrocyclic Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-06-11 — — US disclosed
WO-2008141227-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-11-20 — — WO disclosed
WO-2008137779-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-11-13 — — WO disclosed
WO-2008137779-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-11-13 — — WO disclosed
CN-101263156-A Novel macrocyclic inhibitors of hepatitis C virus replication INTERMUNE INC (US) 2008-09-10 — — CN disclosed
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication ARRAY BIOPHARMA, INC. 2007-03-08 — — US disclosed
WO-2007015824-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2007-02-08 — — 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 (6 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-20090169510-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS TRAP1 3893/4885NAMPT 2116/4885TAS1R3 4710/4885
US-20090297476-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION VIP, HDGF, EIF2AK2 TRAP1 2657/4885NAMPT 2573/4885TAS1R3 3834/4885
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication EIF2AK2, HAVCR2, HCCS TRAP1 3893/4885NAMPT 2116/4885TAS1R3 4710/4885
US-20120208995-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS TRAP1 3893/4885NAMPT 2116/4885TAS1R3 4710/4885
US-20090148407-A1 Novel Macrocyclic Inhibitors of Hepatitis C Virus Replication EIF2AK2, HAVCR2, HCCS TRAP1 4134/4885NAMPT 1926/4885TAS1R3 4685/4885
US-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES SARS1, VIP, MAVS TRAP1 790/4885NAMPT 1463/4885TAS1R3 3581/4885

“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.

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