SCHEMBL4437645

SCHEMBL4437645

O=C(O)N1Cc2cccc(Br)c2C1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 7/20 0.57
TRAP1 Q12931 4/20 0.53
NOTUM Q6P988 1/20 0.44
AKR1C3 P42330 1/20 0.42
HSP90AA1 P07900 1/20 0.40
DPP8 Q6V1X1 2/20 0.36
DPP9 Q86TI2 2/20 0.36
DPP7 Q9UHL4 2/20 0.36
CARM1 Q86X55 2/20 0.36
PRMT6 Q96LA8 1/20 0.36
PRMT1 Q99873 1/20 0.36
ACACB O00763 1/20 0.36
HSP90B1 P14625 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
SCHEMBL20564523 0.85 ABHD6 (0.60) ABHD6TRAP1NOTUMAKR1C3CARM1
SCHEMBL1550147 0.85 ABHD6 (0.60) ABHD6TRAP1NOTUMAKR1C3CARM1
SCHEMBL31414516 0.80 ABHD6 (0.52) ABHD6TRAP1NOTUMCARM1PRMT6
SCHEMBL16101789 0.80 ABHD6 (0.52) ABHD6TRAP1NOTUM
SCHEMBL16637906 0.80 TRAP1 (0.43) ABHD6TRAP1NOTUMAKR1C3HSP90AA1
SCHEMBL7946982 0.80 TRAP1 (0.52) ABHD6TRAP1NOTUMDPP8DPP9
SCHEMBL16269364 0.79 AKR1C3 (0.42) ABHD6TRAP1NOTUMAKR1C3HSP90AA1
SCHEMBL30772456 0.79 TRAP1 (0.56) ABHD6TRAP1NOTUMDPP8DPP9
SCHEMBL497487 0.79 TRAP1 (0.56) ABHD6TRAP1NOTUMDPP8DPP9
SCHEMBL3469584 0.79 TRAP1 (0.53) TRAP1NOTUMAKR1C3

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
WO-2023240024-A1 SULFAMIDE DERIVATIVES AS CYCLIN-DEPENDENT KINASE 2 INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
US-20220411377-A1 SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITORS NORTHWESTERN UNIVERSITY 2022-12-29 US disclosed
US-11053197-B2 Carbazole derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-06 US disclosed
WO-2021081528-A1 SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITORS NORTHWESTERN UNIVERSITY (US) 2021-04-29 WO disclosed
EP-3807270-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-04-21 EP disclosed
US-20200255377-A1 CARBAZOLE DERIVATIVES Organization Name: BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-13 US disclosed
US-10676434-B2 Carbazole derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2020-06-09 US disclosed
EP-3209651-B9 CARBAZOLE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2020-05-20 EP disclosed
WO-2019238616-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2019-12-19 WO disclosed
EP-3209651-B1 CARBAZOLE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2019-10-23 EP disclosed
US-20170362176-A1 CARBAZOLE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2017-12-21 US disclosed
EP-3209651-A1 CARBAZOLE DERIVATIVES Bristol-Myers Squibb Company (US) 2017-08-30 EP disclosed
WO-2017040449-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 WO disclosed
EP-2773613-A1 SUBSTITUTED BENZYLAMINE COMPOUNDS, THEIR USE IN MEDICINE, AND IN PARTICULAR THE TREATMENT OF HEPATITIS C VIRUS (HCV) INFECTION Astex Therapeutics Limited (GB) 2014-09-10 EP disclosed
WO-2013064538-A1 SUBSTITUTED BENZYLAMINE COMPOUNDS, THEIR USE IN MEDICINE, AND IN PARTICULAR THE TREATMENT OF HEPATITIS C VIRUS (HCV) INFECTION ASTEX THERAPEUTICS LIMITED (GB) 2013-05-10 WO disclosed
US-7829665-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2010-11-09 US disclosed
EP-2125778-A1 CERTAIN PYRAZOLINE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY Millennium Pharmaceuticals, Inc. (US) 2009-12-02 EP disclosed
US-20090148407-A1 Novel Macrocyclic Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-06-11 US disclosed
WO-2008079277-A1 CERTAIN PYRAZOLINE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-03 WO disclosed
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication ARRAY BIOPHARMA, INC. 2007-03-08 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 (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-20220411377-A1 SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITORS NOS3, NOS1, NOS2 ABHD6 2503/4885TRAP1 983/4885NOTUM 641/4885
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication EIF2AK2, HAVCR2, HCCS ABHD6 3078/4885TRAP1 3893/4885NOTUM 3787/4885
US-10676434-B2 Carbazole derivatives BTK, SYK, JAK2 ABHD6 4173/4885TRAP1 3556/4885NOTUM 3710/4885
US-20170362176-A1 CARBAZOLE DERIVATIVES BTK, SYK, JAK2 ABHD6 4380/4885TRAP1 3136/4885NOTUM 3793/4885
US-11053197-B2 Carbazole derivatives BTK, SYK, JAK2 ABHD6 4173/4885TRAP1 3556/4885NOTUM 3710/4885
US-20090148407-A1 Novel Macrocyclic Inhibitors of Hepatitis C Virus Replication EIF2AK2, HAVCR2, HCCS ABHD6 3264/4885TRAP1 4134/4885NOTUM 3531/4885
US-20200255377-A1 CARBAZOLE DERIVATIVES BTK, SYK, JAK2 ABHD6 4173/4885TRAP1 3556/4885NOTUM 3710/4885

“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.