SCHEMBL769818

SCHEMBL769818

O=S(=O)(O)CCc1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.53
TBXAS1 P24557 7/20 0.51
NAPRT Q6XQN6 2/20 0.50
CYP2A6 P11509 1/20 0.50
FDPS P14324 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HRH1 P35367 2/20 0.47

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
SCHEMBL770135 0.88 TBXAS1 (0.59) CHRNA7TBXAS1NAPRTCYP2A6FDPS
SCHEMBL27273694 0.84 CHRM2 (0.50) CHRNA7TBXAS1
SCHEMBL15758434 0.81 CHRNA7 (0.53) CHRNA7TBXAS1NAPRTCYP2A6TDP1
SCHEMBL4245616 0.81 CHRNA7 (0.58) CHRNA7TBXAS1CYP2A6TDP1L3MBTL1
SCHEMBL1272886 0.81 CHRNA7 (0.53) CHRNA7TBXAS1NAPRTCYP2A6TDP1
SCHEMBL1272883 0.81 CHRNA7 (0.53) CHRNA7TBXAS1NAPRTCYP2A6TDP1
SCHEMBL496895 0.81 NAPRT (0.53) CHRNA7TBXAS1NAPRTFDPS
SCHEMBL23795746 0.80 TDP1 (0.65) TBXAS1CYP2A6TDP1L3MBTL1HRH1
Sulfuric Acid SCHEMBL28849514 0.80 TDP1 (0.61) CHRNA7TBXAS1NAPRTCYP2A6FDPS
SCHEMBL23795734 0.79 TDP1 (0.59) TBXAS1CYP2A6TDP1L3MBTL1HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113390983-B Detection method for simultaneously determining 3 impurities in Voranolan fumarate 株洲千金药业股份有限公司 2022-06-07 CN claimed
CN-113390983-A Detection method for simultaneously determining 3 impurities in Voranolan fumarate 株洲千金药业股份有限公司 2021-09-14 CN claimed
WO-2023189803-A1 RESIST UNDERLAYER FILM FORMING COMPOSITION 日産化学株式会社 2023-10-05 WO disclosed
WO-2023189799-A1 SELF CROSS-LINKABLE POLYMER AND RESIST UNDERLAYER FILM-FORMING COMPOSITION 日産化学株式会社 2023-10-05 WO disclosed
US-11724997-B2 Compounds and compositions for treating conditions associated with APJ receptor activity ANNAPURNA BIO, INC. (US) 2023-08-15 US disclosed
US-11724997-B2 Compounds and compositions for treating conditions associated with APJ receptor activity ANNAPURNA BIO, INC. (US) 2023-08-15 US disclosed
US-11724997-B2 Compounds and compositions for treating conditions associated with APJ receptor activity ANNAPURNA BIO, INC. (US) 2023-08-15 US disclosed
CN-113390983-B Detection method for simultaneously determining 3 impurities in Voranolan fumarate 株洲千金药业股份有限公司 2022-06-07 CN disclosed
CN-113390983-B Detection method for simultaneously determining 3 impurities in Voranolan fumarate 株洲千金药业股份有限公司 2022-06-07 CN disclosed
CN-113390983-A Detection method for simultaneously determining 3 impurities in Voranolan fumarate 株洲千金药业股份有限公司 2021-09-14 CN disclosed
CN-113390983-A Detection method for simultaneously determining 3 impurities in Voranolan fumarate 株洲千金药业股份有限公司 2021-09-14 CN disclosed
US-20100121054-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE NIPPON SODA CO., LTD. (JP) 2010-05-13 US disclosed
EP-2141149-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE Nippon Soda Co., Ltd. (JP) 2010-01-06 EP disclosed
CN-1042899-C Catalyst compositions and Catalytic processes PHILLIPS PETROLEUM CO (US) 1999-04-14 CN disclosed
EP-0603557-B1 Catalyst compositions and catalytic processes PHILLIPS PETROLEUM CO (US) 1997-07-30 EP disclosed
US-5461126-A Process of polymerizing olefins using organonickel catalyst compositions PHILLIPS PETROLEUM COMPANY (US) 1995-10-24 US disclosed
CN-1091999-A Carbon monoxide-olefin polymeric and Catalytic processes PHILLIPS PETROLEUM CO (US) 1994-09-14 CN disclosed
US-5332708-A Ethylene polymerization catalyst, organonickel compound and a heterocyclic nitrogen compound PHILLIPS PETROLEUM COMPANY (US) 1994-07-26 US disclosed
EP-0603557-A1 Catalyst compositions and catalytic processes PHILLIPS PETROLEUM COMPANY (US) 1994-06-29 EP disclosed
US-4198504-A ANTIBIOTIC BRISTOL-MYERS COMPANY (US) 1980-04-15 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 (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-11724997-B2 Compounds and compositions for treating conditions associated with APJ receptor activity APLNR, AGTR1, AGTR2 CHRNA7 2512/4885TBXAS1 1329/4885NAPRT 1949/4885
US-20100121054-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE INMT, BHMT2, HNMT CHRNA7 388/4885TBXAS1 2208/4885NAPRT 2215/4885

“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.