SCHEMBL6948864

SCHEMBL6948864

CCn1nnnc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.48
ALDH1A1 P00352 5/20 0.42
MAPK1 P28482 1/20 0.41
HCAR3 P49019 1/20 0.40
RAB9A P51151 3/20 0.39
POLB P06746 1/20 0.39
CYP2C19 P33261 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA3 P42263 1/20 0.37
GRIA4 P48058 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL9386542 0.89 NPC1 (0.45) NPC1ALDH1A1MAPK1HCAR3RAB9A
SCHEMBL28712647 0.84 HSD17B10 (0.43) NPC1ALDH1A1MAPK1HCAR3POLB
SCHEMBL19303006 0.82 MAPK1 (0.43) NPC1ALDH1A1MAPK1RAB9APOLB
SCHEMBL6580324 0.80 MAPK1 (0.42) NPC1ALDH1A1MAPK1HCAR3MEN1
SCHEMBL4142949 0.79 ALDH1A1 (0.47) NPC1ALDH1A1MAPK1KMT2ALMNA
SCHEMBL6579797 0.79 MAPK1 (0.38) NPC1ALDH1A1MAPK1HCAR3CYP2C19
SCHEMBL6951940 0.79 TRPV1 (0.44) NPC1ALDH1A1MAPK1POLBMEN1
SCHEMBL20711261 0.79 ALDH1A1 (0.39) NPC1ALDH1A1MAPK1RAB9APOLB
SCHEMBL9111798 0.78 HCAR3 (0.46) HCAR3POLBCYP2C19
SCHEMBL20128067 0.77 MAPK1 (0.33) NPC1ALDH1A1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114174922-B Photosensitive resin composition and photosensitive element 旭化成株式会社 2025-03-04 CN disclosed
CN-114174922-A Photosensitive resin composition and photosensitive element 旭化成株式会社 2022-03-11 CN disclosed
US-20180282331-A1 7-Oxo -6-(sulfooxy)- 1,6-diazabicyclo [3.2.1] octane containing compounds and their use in treatment of bacterial infections (changed by PCT to: 7-OXO -6-(SULFOOXY)- 1,6-DIAZABICYCLO [3.2.1] OCTANE CONTAINING COMPOUNDS AND THEIR USE IN TREATMENT OF BACTERIAL INFECTIONS WOCKHARDT LIMITED (IN) 2018-10-04 US disclosed
EP-0670835-B1 PROCESS FOR PREPARING BENZOPYRAN COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2003-03-12 EP disclosed
US-5616721-A Process for preparing benzopyran compounds SMITHKLINE BEECHAM PLC (GB) 1997-04-01 US disclosed
US-5597929-A Production process of 2-(tetrazol-5-yl)-4-oxo-4H-benzopyran SUMITOMO CHEMICAL CO., LTD. (JP) 1997-01-28 US disclosed
US-5596103-A Process for preparing benzopyran compounds SMITHKLINE BEECHAM PLC (GB) 1997-01-21 US disclosed
US-5587483-A Process for preparing tetrazol-5-yl substituted benzopyran compounds SMITHKLINE BEECHAM PLC (GB) 1996-12-24 US disclosed
EP-0716088-A1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-06-12 EP disclosed
US-5525733-A CYCLIZATION; REACTING ALKALI AZIDE WITH A CYANOFORMATE SMITHKLINE BEECHAM PLC (GB) 1996-06-11 US disclosed
EP-0682658-A1 PROCESS FOR PREPARING TETRAZOLE-5-CARBOXYLIC ACID DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1995-11-22 EP disclosed
WO-1994018178-A1 PROCESS FOR PREPARING TETRAZOLE-5-CARBOXYLIC ACID DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1994-08-18 WO disclosed
WO-1994012492-A1 PROCESS FOR PREPARING BENZOPYRAN COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1994-06-09 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 (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-20180282331-A1 7-Oxo -6-(sulfooxy)- 1,6-diazabicyclo [3.2.1] octane containing compounds and their use in treatment of bacterial infections (changed by PCT to: 7-OXO -6-(SULFOOXY)- 1,6-DIAZABICYCLO [3.2.1] OCTANE CONTAINING COMPOUNDS AND THEIR USE IN TREATMENT OF BACTERIAL INFECTIONS TST, THPO, STS NPC1 1905/4885ALDH1A1 2258/4885MAPK1 200/4885

“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.