SCHEMBL598295

SCHEMBL598295

C[N+](C)=C(n1nnc2ccc(Cl)cc21)[N+](C)(C)[O-].F[B-](F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ KMO O15229 1/20 0.36
▸ KCNMA1 Q12791 1/20 0.34
▸ GAA P10253 4/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MGAM O43451 3/20 0.33
▸ AMY1A P0DUB6 3/20 0.33
▸ SI P14410 3/20 0.33
▸ MGAM2 Q2M2H8 3/20 0.33
▸ F12 P00748 1/20 0.33
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CUL4A Q13619 1/20 0.31

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
SCHEMBL598226 0.82 DGAT1 (0.49) KCNMA1GAAKDM4EMGAMAMY1A
SCHEMBL29031456 0.76 GLA (0.38) GLATHRBKMOKCNMA1GAA
SCHEMBL29467313 0.68 KMT2A (0.40) GLATHRBKMOGAACYP2C19
SCHEMBL1069721 0.68 KMT2A (0.40) GLATHRBKMOGAACYP2C19
SCHEMBL15771522 0.68 KMT2A (0.40) GLATHRBKMOGAACYP2C19
SCHEMBL27380658 0.67 KMO (0.57) GLATHRBKMOKCNMA1GAA
SCHEMBL15020417 0.66 KMO (0.40) GLATHRBKMOGAACYP2C19
SCHEMBL12593994 0.65 KMO (0.49) GLATHRBKMOKCNMA1GAA
SCHEMBL419612 0.63 KMO (0.39) GLATHRBKMOKCNMA1GAA
SCHEMBL83509 0.62 POLB (0.53) GLATHRBKMOGAACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-11701342-B2 Co-therapies including a metastasis inhibitor CORNELL UNIVERSITY (US) 2023-07-18 — — US disclosed
US-20230095474-A1 PROCESS FOR THE PREPARATION OF LASMIDITAN ALIVUS LIFE SCIENCES LIMITED (IN) 2023-03-30 — — US disclosed
US-20230057246-A1 NOVEL PROCESSES FOR PREPARATION OF TEZACAFTOR LAURUS LABS LIMITED (IN) 2023-02-23 — — US disclosed
US-20220009956-A1 PREPARATION OF OLIGO CONJUGATES EMERALD THERAPEUTICS INC (US) 2022-01-13 — — US disclosed
US-11192954-B2 Compounds and methods for the treatment of TROP2 positive diseases BIO-THERA SOLUTIONS, LTD. (CN) 2021-12-07 — — US disclosed
EP-3293175-B1 METHODS FOR PURIFICATION OF SERINE PROTEASES ALEXION PHARMA INC (US) 2021-12-01 — — EP disclosed
US-7304163-B2 Benzotriazole-1-yl-N-oxy phosphonium coupling agent LUXEMBOURG INDUSTRIES LTD. (IL) 2007-12-04 — — US disclosed
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 — — US disclosed
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 — — US disclosed
EP-1801086-A1 Synthesis of carbon acid amides Synthacon GmbH (DE) 2007-06-27 — — EP disclosed
WO-2007070556-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 — — WO disclosed
WO-2007070600-A2 N-(5-MEMBERED HETEROAROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 — — WO disclosed
WO-2007059921-A1 SOLUTION-PHASE SYNTHESIS OF LEUPROLIDE AND ITS INTERMEDIATES NANOKEM S.A. (UY) 2007-05-31 — — WO disclosed
EP-1790656-A1 Solution-phase synthesis of leuprolide NANOKEM S.A. (UY) 2007-05-30 — — EP disclosed
US-20070043207-A1 Novel coupling agent and uses thereof LUXEMBOURG INDUSTRIES LTD. (IL) 2007-02-22 — — US disclosed
WO-2007020620-A1 NOVEL COUPLING AGENT AND USES THEREOF LUXEMBOURG INDUSTRIES LTD. (IL) 2007-02-22 — — 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 (12 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 GLA 1418/4885THRB 2467/4885KMO 4248/4885
US-20240124449-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN FSCN1, MTPN, MYOF GLA 1012/4885THRB 4137/4885KMO 2545/4885
US-11192954-B2 Compounds and methods for the treatment of TROP2 positive diseases BST2, CD22, HAVCR2 GLA 1240/4885THRB 903/4885KMO 4669/4885
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, HAVCR2, ZC3HAV1L GLA 1773/4885THRB 3707/4885KMO 2633/4885
US-11858929-B2 Compounds and methods for inhibiting fascin FSCN1, MTPN, MYOF GLA 1012/4885THRB 4137/4885KMO 2545/4885
US-20230057246-A1 NOVEL PROCESSES FOR PREPARATION OF TEZACAFTOR CYP3A4, CYP4A11, CYP3A43 GLA 1755/4885THRB 2654/4885KMO 141/4885
US-20230310378-A1 CO-THERAPIES INCLUDING A METASTASIS INHIBITOR MIF, CXCL10, CCL2 GLA 4171/4885THRB 3719/4885KMO 4393/4885
US-20070043207-A1 Novel coupling agent and uses thereof PTMS, ANP32A, MBTPS1 GLA 3360/4885THRB 2502/4885KMO 3595/4885
US-20230095474-A1 PROCESS FOR THE PREPARATION OF LASMIDITAN LPXN, TACR2, KCNH1 GLA 1322/4885THRB 3925/4885KMO 917/4885
US-11701342-B2 Co-therapies including a metastasis inhibitor MIF, CXCL10, CCL2 GLA 4171/4885THRB 3719/4885KMO 4393/4885
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, ZC3HAV1L, HAVCR2 GLA 1724/4885THRB 3531/4885KMO 2414/4885
US-20220009956-A1 PREPARATION OF OLIGO CONJUGATES OSTC, PCBP1, PAICS GLA 3743/4885THRB 1457/4885KMO 2105/4885

“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.

Send feedback