SCHEMBL394598

SCHEMBL394598

Nc1nccc2c1CCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 8/20 1.00
NOS3 P29474 7/20 1.00
NOS1 P29475 4/20 1.00
SIGMAR1 Q99720 1/20 0.40
BCL2L1 Q07817 1/20 0.38
BAD Q92934 1/20 0.38
CCNE2 O96020 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
LNPEP Q9UIQ6 2/20 0.36
ROCK1 Q13464 1/20 0.36
ACHE P22303 1/20 0.35
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DYRK1A Q13627 1/20 0.33
F12 P00748 1/20 0.33
PLAU P00749 1/20 0.33
NCF1 P14598 1/20 0.33

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
SCHEMBL16658453 0.96 NOS2 (0.92) NOS2NOS3NOS1SIGMAR1BCL2L1
Hydrochloric Acid SCHEMBL16650985 0.94 NOS2 (0.88) NOS2NOS3NOS1SIGMAR1BCL2L1
SCHEMBL19122728 0.77
SCHEMBL18774071 0.75 NOS3 (0.59) NOS2NOS3NOS1LIMK1
SCHEMBL8533330 0.74 NOS3 (0.59) NOS2NOS3NOS1SIGMAR1BCL2L1
SCHEMBL29386819 0.74 NOS3 (0.59) NOS2NOS3NOS1SIGMAR1BCL2L1
SCHEMBL8301451 0.74 NOS3 (0.59) NOS2NOS3NOS1SIGMAR1BCL2L1
SCHEMBL2624105 0.74 NOS3 (0.59) NOS2NOS3NOS1SIGMAR1BCL2L1
SCHEMBL2624104 0.74 NOS3 (0.59) NOS2NOS3NOS1SIGMAR1BCL2L1
SCHEMBL27357146 0.74 NOS3 (0.59) NOS2NOS3NOS1SIGMAR1BCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2387571-A1 OXADIAZOLE DERIVATIVES AS SLPL RECEPTOR AGONISTS Almirall S.A. (ES) 2011-11-23 EP claimed
US-8041930-B2 Data processing apparatus and method for controlling thread access of register sets when selectively operating in secure and non-secure domains ARM LIMITED (GB) 2011-10-18 US claimed
WO-2010081692-A1 OXADIAZOLE DERIVATIVES AS SLPL RECEPTOR AGONISTS ALMIRALL, S.A. (ES) 2010-07-22 WO claimed
US-12570671-B2 Substituted oxoisoindoline compounds for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2026-03-10 US disclosed
EP-4126843-B1 SUBSTITUTED OXOISOINDOLINE COMPOUNDS FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2026-02-11 EP disclosed
US-20250381187-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2025-12-18 US disclosed
US-12440491-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2025-10-14 US disclosed
CN-115605466-B Substituted oxoisoindoline compounds for the treatment of cancer 百时美施贵宝公司 2024-11-01 CN disclosed
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2024-02-15 US disclosed
EP-4320132-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER Genentech, Inc. (US) 2024-02-14 EP disclosed
US-20230322803-A1 SUBSTITUTED OXOISOINDOLINE COMPOUNDS FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2023-10-12 US disclosed
US-5972975-A Substituted 2-aminopyridines as inhibitors of nitric oxide synthase MERCK & CO., INC. (US) 1999-10-26 US disclosed
EP-0649425-B1 PYRIDINO-, PYRROLIDINO- AND AZEPINO-SUBSTITUTED OXIMES USEFUL AS ANTI-ATHEROSCLEROSIS AND ANTI-HYPERCHOLESTEROLEMIC AGENTS UPJOHN CO (US) 1999-03-10 EP disclosed
US-5597816-A Pyrazoloazepino substituted oximes useful as anti-atherosclerosis and anti-hypercholesterolemic agents THE UPJOHN COMPANY (US) 1997-01-28 US disclosed
US-5565468-A 4,5,6,7-TETRAHYDROPYRAZOLO(1,5-A)PYRID-3-YL, PYRAZOLO(1,5-A)PYRID-3-YL, IMIDAZO(1,5-A)PYRIDIN-1-YL OR IMIDAZO(1,2-A)-PYRID-3-YL OXIME DERIVATIVES THE UPJOHN COMPANY (US) 1996-10-15 US disclosed
WO-1996018616-A1 SUBSTITUTED 2-AMINOPYRIDINES AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO., INC. (US) 1996-06-20 WO disclosed
US-5523318-A Pyrrolidino-substituted oximes useful as anti-atherosclerosis and anti-hypercholesterolemic agents THE UPJOHN COMPANY (US) 1996-06-04 US disclosed
EP-0649425-A1 PYRIDINO-, PYRROLIDINO- AND AZEPINO-SUBSTITUTED OXIMES USEFUL AS ANTI-ATHEROSCLEROSIS AND ANTI-HYPERCHOLESTEROLEMIC AGENTS PHARMACIA & UPJOHN COMPANY (US) 1995-04-26 EP disclosed
WO-1993025553-A1 PYRIDINO-, PYRROLIDINO- AND AZEPINO-SUBSTITUTED OXIMES USEFUL AS ANTI-ATHEROSCLEROSIS AND ANTI-HYPERCHOLESTEROLEMIC AGENTS THE UPJOHN COMPANY (US) 1993-12-23 WO disclosed
US-4209620-A ASTHMA AND RHINITIS BRISTOL-MYERS COMPANY (US) 1980-06-24 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 (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-20230322803-A1 SUBSTITUTED OXOISOINDOLINE COMPOUNDS FOR THE TREATMENT OF CANCER DDX21, HRAS, RPL17 NOS2 3409/4885NOS3 3704/4885NOS1 3751/4885
US-20250381187-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS NOS2 4845/4885NOS3 4868/4885NOS1 4754/4885
US-12570671-B2 Substituted oxoisoindoline compounds for the treatment of cancer NR3C1, NR2C2, RIOX2 NOS2 4057/4885NOS3 3163/4885NOS1 3473/4885
US-12440491-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS NOS2 4845/4885NOS3 4868/4885NOS1 4754/4885
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS NOS2 4845/4885NOS3 4868/4885NOS1 4754/4885

“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.