SCHEMBL330006

SCHEMBL330006

O=C(Cl)N1Cc2ccccc2C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.61
CNR2 P34972 2/20 0.52
TAS1R3 Q7RTX0 4/20 0.50
TAS1R1 Q7RTX1 4/20 0.50
TAS1R2 Q8TE23 4/20 0.50
HSP90AA1 P07900 2/20 0.50
HSP90AB1 P08238 2/20 0.50
HSP90B1 P14625 1/20 0.50
TRAP1 Q12931 1/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
NAMPT P43490 2/20 0.48
HPGD P15428 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
DPP9 Q86TI2 2/20 0.46
DPP7 Q9UHL4 2/20 0.46

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
SCHEMBL31606437 1.00 NOTUM (0.61) NOTUMCNR2TAS1R3TAS1R1TAS1R2
SCHEMBL29590995 0.86 NOTUM (0.68) NOTUMHSP90AA1MEN1MAPTKMT2A
SCHEMBL329871 0.86 NOTUM (0.68) NOTUMHSP90AA1MEN1MAPTKMT2A
SCHEMBL27724288 0.80 NOTUM (0.67) NOTUMCNR2TAS1R3TAS1R1TAS1R2
SCHEMBL2533362 0.78 NOTUM (0.64) NOTUMCNR2TAS1R3TAS1R1TAS1R2
SCHEMBL29758685 0.78 NOTUM (0.64) NOTUMCNR2TAS1R3TAS1R1TAS1R2
SCHEMBL5536189 0.77 DPP4 (0.50) TAS1R3TAS1R1TAS1R2NAMPTSPR
SCHEMBL8227303 0.77 TRAP1 (0.55) NOTUMTAS1R3TAS1R1TAS1R2HSP90B1
SCHEMBL22169249 0.77 DPP8 (0.53) NAMPTDPP9DPP8
SCHEMBL18403505 0.76 NOTUM (0.61) NOTUMCNR2TAS1R3TAS1R1TAS1R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250171419-A1 NOVEL NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND USES THEREOF HEIDELBERG PHARMA RESEARCH GMBH (DE) 2025-05-29 US disclosed
EP-2655323-B1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LTD (IE) 2017-12-20 EP disclosed
US-20170217910-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2017-08-03 US disclosed
US-9708286-B2 Ingenol-3-acylates III and ingenol-3-carbamates LEO LABORATORIES LIMITED (IE) 2017-07-18 US disclosed
EP-2220060-B1 TETRAHYDROBENZOTHIAZOLE DERIVATIVES MOTAC NEUROSCIENCE LTD (GB) 2016-09-14 EP disclosed
CN-103145715-B Huge ring carboxylic acid and acyl sulfonamides as HCV replication inhibitors F·霍夫曼-罗须公司 2016-08-03 CN disclosed
CN-105431422-A Isoindoline or isoquinoline compounds, process for their preparation and pharmaceutical compositions containing them SERVIER LAB 2016-03-23 CN disclosed
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2015-10-15 US disclosed
US-20150274777-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS HOFFMANN-LA ROCHE INC. 2015-10-01 US disclosed
EP-2906581-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS F. Hoffmann-La Roche AG (CH) 2015-08-19 EP disclosed
US-20090111969-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-04-30 US disclosed
US-20090105471-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-04-23 US disclosed
US-7491794-B2 Macrocyclic compounds as inhibitors of viral replication INTERMUNE, INC. (US) 2009-02-17 US disclosed
CN-1938311-A Macrocyclic compounds as inhibitors of viral replication INTERMUNE INC (US) 2007-03-28 CN disclosed
EP-1749007-A2 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION Intermune, Inc. (US) 2007-02-07 EP disclosed
CN-1889970-A Macrocyclic carboxylic acids and acylsulfonamides as inhibitors of HCV replication INTERMUNE INC (US) 2007-01-03 CN disclosed
EP-1680137-A2 MACROCYCLIC CARBOXYLIC ACIDS AND ACYLSULFONAMIDES AS INHIBITORS OF HCV REPLICATION Intermune, Inc. (US) 2006-07-19 EP disclosed
US-20050267018-A1 Macrocyclic compounds as inhibitors of viral replication HOFFMANN-LA ROCHE INC. 2005-12-01 US disclosed
WO-2005095403-A2 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. (US) 2005-10-13 WO disclosed
WO-2005037214-A2 MACROCYCLIC CARBOXYLIC ACIDS AND ACYLSULFONAMIDES AS INHIBITORS OF HCV REPLICATION INTERMUNE, INC. (US) 2005-04-28 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 (7 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-20170217910-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG NOTUM 3011/4885CNR2 91/4885TAS1R3 421/4885
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG NOTUM 3011/4885CNR2 91/4885TAS1R3 421/4885
US-20090111969-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 NOTUM 2635/4885CNR2 2637/4885TAS1R3 3969/4885
US-20050267018-A1 Macrocyclic compounds as inhibitors of viral replication EIF2AK2, HAVCR2, ZC3HAV1 NOTUM 2635/4885CNR2 2637/4885TAS1R3 3969/4885
US-20150274777-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS PSMB7, PSMB5, PSMC2 NOTUM 1452/4885CNR2 1066/4885TAS1R3 2841/4885
US-20250171419-A1 NOVEL NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND USES THEREOF NAMPT, NAPRT, NNMT NOTUM 2373/4885CNR2 2655/4885TAS1R3 4479/4885
US-20090105471-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 NOTUM 2635/4885CNR2 2637/4885TAS1R3 3969/4885

“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.