SCHEMBL4134209

SCHEMBL4134209

NCCc1ccnc(N)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.61
NOS2 P35228 4/20 0.61
NOS1 P29475 3/20 0.61
GABRP O00591 2/20 0.53
GABRD O14764 2/20 0.53
GABRA1 P14867 2/20 0.53
GABRB1 P18505 2/20 0.53
GABRG2 P18507 2/20 0.53
GABRB3 P28472 2/20 0.53
GABRA5 P31644 2/20 0.53
GABRA3 P34903 2/20 0.53
GABRA2 P47869 2/20 0.53
GABRB2 P47870 2/20 0.53
GABRA4 P48169 2/20 0.53
GABRE P78334 2/20 0.53
GABRA6 Q16445 2/20 0.53
GABRG1 Q8N1C3 2/20 0.53
GABRG3 Q99928 2/20 0.53
GABRQ Q9UN88 2/20 0.53
LOXL2 Q9Y4K0 3/20 0.52

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 SCHEMBL29481452 0.98 NOS3 (0.59) NOS3NOS2NOS1GABRPGABRD
Hydrochloric Acid SCHEMBL6953232 0.98 NOS3 (0.59) NOS3NOS2NOS1GABRPGABRD
SCHEMBL339608 0.82
SCHEMBL29481458 0.82
SCHEMBL318127 0.81 NOS3 (0.59) NOS3NOS2NOS1GABRPGABRD
SCHEMBL105611 0.81 NOS2 (0.70) NOS3NOS2NOS1GABRPGABRD
SCHEMBL318128 0.81 NOS3 (0.59) NOS3NOS2NOS1GABRPGABRD
SCHEMBL18476749 0.81 NOS3 (0.59) NOS3NOS2NOS1GABRPGABRD
Hydrochloric Acid SCHEMBL23064166 0.80 NOS3 (0.63) NOS3NOS2NOS1GABRPGABRD
Hydrochloric Acid SCHEMBL14630870 0.79 NOS2 (0.68) NOS3NOS2NOS1GABRPGABRD

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5399294-A Dispersing agents, their use and solids coated therewith EFKA-CHEMICALS B.V. (NL) 1995-03-21 US claimed
US-12479856-B2 Pharmaceutical compounds for the treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2025-11-25 US disclosed
US-20230085372-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2023-03-16 US disclosed
EP-3941462-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS Achillion Pharmaceuticals, Inc. (US) 2022-01-26 EP disclosed
CN-113795249-A Pharmaceutical compounds for the treatment of complement-mediated disorders 艾其林医药公司 2021-12-14 CN disclosed
WO-2020198062-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2020-10-01 WO disclosed
EP-1948717-B1 USE OF A DRY POWDER OF A POLYMERIC ADDITIVE BASF SE (DE) 2014-05-21 EP disclosed
US-20090156739-A1 Process for the Preparation of a Dry Powder of a Polymeric Additive CIBA CORP. 2009-06-18 US disclosed
EP-1948717-A1 PROCESS FOR THE PREPARATION OF A DRY POWDER OF A POLYMERIC ADDITIVE Ciba Specialty Chemicals Holding Inc. (CH) 2008-07-30 EP disclosed
WO-2007057326-A1 PROCESS FOR THE PREPARATION OF A DRY POWDER OF A POLYMERIC ADDITIVE CIBA HOLDING INC. (CH) 2007-05-24 WO disclosed
EP-0674623-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-04-09 EP disclosed
US-6403578-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed
CN-1215054-A Bychclic fibrinogen antagonists SMITHKLINE BEECHAM CORP (US) 1999-04-28 CN disclosed
CN-1209060-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-02-24 CN disclosed
CN-1041921-C Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORP (US) 1999-02-03 CN disclosed
US-5852045-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-22 US disclosed
EP-0674623-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-04 EP disclosed
WO-1994014776-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 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 (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-12479856-B2 Pharmaceutical compounds for the treatment of complement mediated disorders C5, CFH, C1QBP NOS3 4386/4885NOS2 4540/4885NOS1 4498/4885
US-20230085372-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS C5, CFH, C1QBP NOS3 4386/4885NOS2 4540/4885NOS1 4498/4885

“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.