SCHEMBL709443

SCHEMBL709443

CCCN([C]=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.43
DRD3 P35462 1/20 0.42
ESR1 P03372 1/20 0.40
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
KCNA5 P22460 3/20 0.38
KCNN4 O15554 2/20 0.38
NPC1 O15118 1/20 0.37
JAK2 O60674 1/20 0.37
RAB9A P51151 1/20 0.37
PAX8 Q06710 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.35
HTR1A P08908 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
SCHEMBL489807 0.88 TDP1 (0.44) TP53ESR1NPC1JAK2RAB9A
SCHEMBL704306 0.86 NPC1 (0.47) TP53ESR1NPC1JAK2RAB9A
SCHEMBL707049 0.85 NPC1 (0.50) TP53ALDH1A1NPC1JAK2RAB9A
SCHEMBL16415140 0.85 NPC1 (0.50) TP53ALDH1A1NPC1JAK2RAB9A
SCHEMBL16414652 0.85 NPC1 (0.50) TP53ALDH1A1NPC1JAK2RAB9A
SCHEMBL3458580 0.85 NPC1 (0.50) TP53ALDH1A1NPC1JAK2RAB9A
SCHEMBL7651316 0.85 NPC1 (0.50) TP53ALDH1A1NPC1JAK2RAB9A
SCHEMBL15352674 0.85 NPC1 (0.50) TP53ALDH1A1NPC1JAK2RAB9A
SCHEMBL7914609 0.85 NPC1 (0.50) TP53ALDH1A1NPC1JAK2RAB9A
SCHEMBL305841 0.83 TSHR (0.47) TP53DRD3ESR1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748219-B8 COMPOUNDS FOR THE TREATMENT OF DISORDERS RELATED TO VASCULOGENESIS AND/OR ANGIOGENESIS SUGEN INC (US) 2005-06-08 EP claimed
EP-0748219-A4 COMPOUNDS FOR THE TREATMENT OF DISORDERS RELATED TO VASCULOGENESIS AND/OR ANGIOGENESIS SUGEN INC (US) 1999-06-16 EP claimed
EP-0748219-A1 COMPOUNDS FOR THE TREATMENT OF DISORDERS RELATED TO VASCULOGENESIS AND/OR ANGIOGENESIS Sugen, Inc. (US) 1996-12-18 EP claimed
WO-1995021613-A1 COMPOUNDS FOR THE TREATMENT OF DISORDERS RELATED TO VASCULOGENESIS AND/OR ANGIOGENESIS SUGEN, INC. (US) 1995-08-17 WO claimed
EP-2478981-B1 SILVER-(CONJUGATED COMPOUND) COMPLEX SUMITOMO CHEMICAL CO (JP) 2020-12-23 EP disclosed
US-10439252-B2 Electrolyte solution for electrochemical device, and electrochemical device FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-08 US disclosed
US-9758513-B2 Dihydrooxazine or oxazepine derivatives having BACE1 inhibitory activity SHIONOGI & CO., LTD. (JP) 2017-09-12 US disclosed
US-9704612-B2 Composition of silver-conjugated compound composite SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-07-11 US disclosed
CN-104271571-B Tetrazolinone compound and use thereof 住友化学株式会社 2017-07-07 CN disclosed
EP-2841433-B1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL CO (JP) 2017-06-21 EP disclosed
WO-2017061534-A1 DIHYDROTHIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2017-04-13 WO disclosed
US-20170073337-A1 DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-03-16 US disclosed
EP-0696586-A1 SERINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-02-14 EP disclosed
EP-0678511-A2 Thiazolidine and oxazolidine derivatives, their preparation and their medical use SANKYO COMPANY LIMITED (JP) 1995-10-25 EP disclosed
WO-1995021613-A1 COMPOUNDS FOR THE TREATMENT OF DISORDERS RELATED TO VASCULOGENESIS AND/OR ANGIOGENESIS SUGEN, INC. (US) 1995-08-17 WO disclosed
EP-0487071-B1 Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-07-05 EP disclosed
CN-1097417-A New heterogeneous ring compound FUJISAWA PHARMACEUTICAL CO (JP) 1995-01-18 CN disclosed
US-5273974-A Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-12-28 US disclosed
EP-0487071-A1 Condensed heterocyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-05-27 EP disclosed
US-4257995-A STORAGE STABILITY THE UPJOHN COMPANY (US) 1981-03-24 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 (1 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-20170073337-A1 DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY BACE1, BACE2, APP TP53 2605/4885DRD3 1151/4885ESR1 3407/4885

“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.