SCHEMBL223552

SCHEMBL223552

[C]1=NCCc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.36
NOS2 P35228 1/20 0.36
HTR2C P28335 1/20 0.36
TSHR P16473 1/20 0.35
PNMT P11086 1/20 0.32
CD44 P16070 1/20 0.32
MAOB P27338 1/20 0.32
MAOA P21397 1/20 0.30

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
SCHEMBL17193188 0.87 TSHR (0.42) NOS3NOS2HTR2CTSHRPNMT
SCHEMBL4175339 0.76
SCHEMBL1162633 0.73 NOS3 (0.36) NOS3NOS2HTR2CTSHRMAOA
SCHEMBL17193192 0.68 TSHR (0.40) NOS3NOS2HTR2CTSHRPNMT
SCHEMBL8912020 0.67 TSHR (0.43) NOS3NOS2HTR2CTSHRPNMT
SCHEMBL31251596 0.67 TSHR (0.43) NOS3NOS2HTR2CTSHRPNMT
SCHEMBL1751341 0.67 TSHR (0.43) NOS3NOS2HTR2CTSHRPNMT
SCHEMBL11095966 0.67 TSHR (0.43) NOS3NOS2HTR2CTSHRPNMT
SCHEMBL327799 0.67 TSHR (0.43) NOS3NOS2HTR2CTSHRPNMT
SCHEMBL2512554 0.65 MEN1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4399216-A1 IMMUNOMODULATING AZALIDES Zoetis Services LLC (US) 2024-07-17 EP claimed
CN-118139870-A Immunomodulatory nitrogen ring lactones 硕腾服务有限责任公司 2024-06-04 CN claimed
US-20230129040-A1 IMMUNOMODULATING AZALIDES ZOETIS SERVICES LLC 2023-04-27 US claimed
WO-2023038852-A1 IMMUNOMODULATING AZALIDES ZOETIS SERVICES LLC (US) 2023-03-16 WO claimed
CN-108727369-A Inhibitors of influenza viruses replication and application thereof 广东东阳光药业有限公司 2018-11-02 CN claimed
US-20180312496-A1 BICYCLIC HETEROCYCLE DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-11-01 US claimed
EP-3317266-A1 BICYCLIC HETEROCYCLE DERIVATIVES AS BROMODOMAIN INHIBITORS Orion Corporation (FI) 2018-05-09 EP claimed
CN-104936962-B Therapeutically active oxazoline derivatives UCB生物制药私人有限公司 2017-02-22 CN claimed
WO-2017001733-A1 BICYCLIC HETEROCYCLE DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2017-01-05 WO claimed
US-9505753-B2 Inhibitors of D-amino acid oxidase THE JOHNS HOPKINS UNIVERSITY (US) 2016-11-29 US claimed
WO-1996039382-A1 UREA DERIVATIVES AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-12 WO claimed
US-5567709-A IMMUNOSUPPRESSANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-10-22 US claimed
US-5559119-A IMMUNOSUPPRESSANTS, ANTIINFLAMMATORY AGENTS, FUNGICIDES AND ANTITUMOR AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-09-24 US claimed
US-5559112-A IMMUNOSUPPRESSANTS, ANTIINFLAMMATORY AGENTS, FUNGICIDES AND ANTITUMOR AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-09-24 US claimed
US-5532355-A IMMUNOSUPPRESSANTS FOR ORGAN TRANSPLANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-07-02 US claimed
US-5519031-A TREATMENT OF RESTENOSIS, IMMUNOSUPPRESIVE AGENTS, ANTIINFLAMMATORY AGENTS, FUNGICIDES OR ANTITUMOR AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-05-21 US claimed
US-5516780-A IMMUNOSUPPRESSIVE, ANTIINFLAMMATORY, ANTIFUNGAL AND ANTITUMOR AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-05-14 US claimed
US-5434260-A Treating transplantation rejection in mammals AMERICAN HOME PRODUCTS CORPORATION (US) 1995-07-18 US claimed
US-4649146-A ANTIULCER FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-03-10 US claimed
US-4113867-A ANTHELMINTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1978-09-12 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20180312496-A1 BICYCLIC HETEROCYCLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD4, BRD2 NOS3 3793/4885NOS2 3110/4885HTR2C 1768/4885
US-20230129040-A1 IMMUNOMODULATING AZALIDES IL2, MALT1, FCGRT NOS3 1003/4885NOS2 503/4885HTR2C 4578/4885

“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.