SCHEMBL598226

SCHEMBL598226

C[N+](C)=C(n1nnc2ccccc21)[N+](C)(C)[O-].F[B-](F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.49
▸ KCNMA1 Q12791 1/20 0.42
▸ GAA P10253 12/20 0.41
▸ MGAM O43451 11/20 0.41
▸ AMY1A P0DUB6 11/20 0.41
▸ SI P14410 11/20 0.41
▸ MGAM2 Q2M2H8 11/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ F2 P00734 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SLC9A1 P19634 1/20 0.41
▸ F12 P00748 2/20 0.41
▸ MIF P14174 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ HTT P42858 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL598295 0.82 GLA (0.38) DGAT1KCNMA1GAAMGAMAMY1A
SCHEMBL1971917 0.75 DGAT1 (0.51) DGAT1KCNMA1GAAMGAMAMY1A
SCHEMBL21904738 0.75 DGAT1 (0.51) DGAT1KCNMA1GAAMGAMAMY1A
SCHEMBL2732055 0.73 DGAT1 (0.49) DGAT1KCNMA1GAAMGAMAMY1A
SCHEMBL29031460 0.73 DGAT1 (0.49) DGAT1KCNMA1GAAMGAMAMY1A
SCHEMBL2732054 0.69 DGAT1 (0.44) DGAT1KCNMA1GAAMGAMAMY1A
SCHEMBL3893181 0.68 DGAT1 (0.57) DGAT1KCNMA1GAAMGAMAMY1A
SCHEMBL21904737 0.68 DGAT1 (0.49) DGAT1KCNMA1GAAMGAMAMY1A
SCHEMBL2732640 0.67 DGAT1 (1.00) DGAT1KCNMA1GAAMGAMAMY1A
SCHEMBL3868690 0.67 SLC9A1 (0.40) DGAT1KCNMA1GAAMGAMAMY1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023141693-A1 SYNTHETIC GLYCOLIPIDS AND GLYCOLIPOSOME COMPOSITIONS SUITABLE FOR CARGO DELIVERY TO THE CENTRAL NERVOUS SYSTEM KORANEX CAPITAL (CA) 2023-08-03 — — WO claimed
US-20240158402-A1 METHODS FOR INHIBITING FASCIN NOVITA PHARMACEUTICALS, INC. (US) 2024-05-16 — — US disclosed
US-20240124449-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN NOVITA PHARMACEUTICALS, INC. (US) 2024-04-18 — — US disclosed
US-11866440-B2 Methods for inhibiting fascin CORNELL UNIVERSITY (US) 2024-01-09 — — US disclosed
US-11858929-B2 Compounds and methods for inhibiting fascin CORNELL UNIVERSITY (US) 2024-01-02 — — US disclosed
US-20230310378-A1 CO-THERAPIES INCLUDING A METASTASIS INHIBITOR NOVITA PHARMACEUTICALS, INC. (US) 2023-10-05 — — US disclosed
WO-2023141693-A1 SYNTHETIC GLYCOLIPIDS AND GLYCOLIPOSOME COMPOSITIONS SUITABLE FOR CARGO DELIVERY TO THE CENTRAL NERVOUS SYSTEM KORANEX CAPITAL (CA) 2023-08-03 — — WO disclosed
US-11701342-B2 Co-therapies including a metastasis inhibitor CORNELL UNIVERSITY (US) 2023-07-18 — — US disclosed
US-20230057246-A1 NOVEL PROCESSES FOR PREPARATION OF TEZACAFTOR LAURUS LABS LIMITED (IN) 2023-02-23 — — US disclosed
US-11235316-B2 Catalysts for chemical reactions in a water-surfactant mixture NOVARTIS AG (CH) 2022-02-01 — — US disclosed
EP-1585758-A4 PEPTIDES HAVING PROTECTED AMINES OF UNTARGETED SITES, METHODS FOR PRODUCTION THEREOF AND OF SPECIFICALLY CONJUGATED PEG PEPTIDES USING THE SAME PEGSPHERE CO LTD (KR) 2006-06-07 — — EP disclosed
EP-1654280-A2 PREPARATION OF SOMATOSTATIN PEPTIDES Novartis AG (CH) 2006-05-10 — — EP disclosed
US-20060063914-A1 specifically conjugating polyethylene glycol to targeted sites of the synthetic peptides; pegylation; synthetic peptides having selectively protected amines of untargeted sites PEGSPHERE CO., LTD. (KR) 2006-03-23 — — US disclosed
WO-2005116643-A2 IDENTIFICATION OF COMPOUNDS MODIFYING A CELLULAR RESPONSE CARLSBERG A/S (DK) 2005-12-08 — — WO disclosed
EP-1585758-A1 PEPTIDES HAVING PROTECTED AMINES OF UNTARGETED SITES, METHODS FOR PRODUCTION THEREOF AND OF SPECIFICALLY CONJUGATED PEG PEPTIDES USING THE SAME PEGSPHERE Co., Ltd. (KR) 2005-10-19 — — EP disclosed
WO-2005014624-A2 PREPARATION OF SOMATOSTATIN PEPTIDES NOVARTIS AG (CH) 2005-02-17 — — WO disclosed
US-6828392-B2 For use as solid supports for organic synthesis, for enzymatic assays, for immobilization of biomolecules, for controlled release of drugs, and for chromatographic separations CARLSBERG A/S (DK) 2004-12-07 — — US disclosed
WO-2004065412-A1 PEPTIDES HAVING PROTECTED AMINES OF UNTARGETED SITES, METHODS FOR PRODUCTION THEREOF AND OF SPECIFICALLY CONJUGATED PEG PEPTIDES USING THE SAME PEGSPHERE CO., LTD. (KR) 2004-08-05 — — WO disclosed
US-20030096918-A1 Hydroxy and amine functionalised resins CARLSBERG A/S (DK) 2003-05-22 — — US disclosed
US-20030027982-A1 Method for inverse solid phase synthesis of peptides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-02-06 — — 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 (9 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-20240158402-A1 METHODS FOR INHIBITING FASCIN FSCN1, NLN, TNNI3 DGAT1 1790/4885KCNMA1 2183/4885GAA 577/4885
US-11235316-B2 Catalysts for chemical reactions in a water-surfactant mixture LSS, DCXR, CEL DGAT1 148/4885KCNMA1 3777/4885GAA 920/4885
US-20240124449-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN FSCN1, MTPN, MYOF DGAT1 673/4885KCNMA1 3361/4885GAA 630/4885
US-11858929-B2 Compounds and methods for inhibiting fascin FSCN1, MTPN, MYOF DGAT1 673/4885KCNMA1 3361/4885GAA 630/4885
US-20230057246-A1 NOVEL PROCESSES FOR PREPARATION OF TEZACAFTOR CYP3A4, CYP4A11, CYP3A43 DGAT1 1501/4885KCNMA1 3077/4885GAA 74/4885
US-20230310378-A1 CO-THERAPIES INCLUDING A METASTASIS INHIBITOR MIF, CXCL10, CCL2 DGAT1 2250/4885KCNMA1 4421/4885GAA 3948/4885
US-11701342-B2 Co-therapies including a metastasis inhibitor MIF, CXCL10, CCL2 DGAT1 2250/4885KCNMA1 4421/4885GAA 3948/4885
US-20030027982-A1 Method for inverse solid phase synthesis of peptides SSU72, SUB1, NPPA DGAT1 4534/4885KCNMA1 3515/4885GAA 3886/4885
US-11866440-B2 Methods for inhibiting fascin FSCN1, NLN, TNNI3 DGAT1 1790/4885KCNMA1 2183/4885GAA 577/4885

“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.

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