Sugi Predict

Sugi Predict / Compounds / SCHEMBL5192240

SCHEMBL5192240

SCHEMBL5192240

COc1ccc(-c2nnn(C)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.64
▸ NPC1 O15118 4/20 0.56
▸ RAB9A P51151 4/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ NFKB1 P19838 1/20 0.54
▸ NFKB2 Q00653 1/20 0.54
▸ RELA Q04206 1/20 0.54
▸ MAPT P10636 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ MGLL Q99685 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ HPGD P15428 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ CLK4 Q9HAZ1 1/20 0.48

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
SCHEMBL6248308 0.84 LTA4H (0.58) LTA4HNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL12896173 0.81 NPC1 (0.50) LTA4HNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL8220320 0.81 SMN1; SMN2 (0.60) LTA4HNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL13846213 0.80 MAPK1 (0.61) NPC1RAB9AL3MBTL1SMN1; SMN2LMNA
SCHEMBL13846113 0.80 NPC1 (0.52) LTA4HNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL10512286 0.79 ABCG2 (0.62) LTA4HNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL8391808 0.79 LTA4H (0.69) LTA4HNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL13846196 0.79 MAPT (0.60) SMN1; SMN2LMNATSHRMAPTKDM4E
SCHEMBL5775 0.79 LTA4H (0.51) LTA4HNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL13841588 0.79 NPC1 (0.54) NPC1RAB9ASMN1; SMN2LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070265452-A1 Method for Preparing 2-Alkoxy-5-Tetrazolyl-Benzaldehyde Compound TOYO KASEI KOGYO COMPANY LIMITED (JP) 2007-11-15 — — US claimed
EP-1813605-A1 METHOD FOR PREPARING 2-ALKOXY-5-TETRAZOLYL-BENZALDEHYDE COMPOUND TOYO KASEI KOGYO COMPANY LIMITED (JP) 2007-08-01 — — EP claimed
US-9149465-B2 Isoxazolines as inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-10-06 — — US disclosed
US-8785377-B2 Tetrazolyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-07-22 — — US disclosed
US-8263549-B2 C5-substituted, proline-derived, macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-09-11 — — US disclosed
US-8101567-B2 Heteroaryl-containing tripeptide HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-01-24 — — US disclosed
US-8030307-B2 Bicyclic, C5-substituted proline derivatives as inhibitors of the hepatitis C virus NS3 protease ENANTA PHARMACEUTICALS, INC. (US) 2011-10-04 — — US disclosed
US-7906513-B2 Prevent reproduction; breaking life cycle;viricides ENANTA PHARMACEUTICALS, INC. (US) 2011-03-15 — — US disclosed
US-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-03 — — US disclosed
US-7605126-B2 Acylaminoheteroaryl hepatitis C virus protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2009-10-20 — — US disclosed
US-7582605-B2 Phosphorus-containing hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2009-09-01 — — US disclosed
WO-2008021733-A2 TETRAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-21 — — WO disclosed
WO-2008021956-A2 ACYLAMINOHETEROARYL HEPATITIS C VIRUS PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-21 — — WO disclosed
WO-2008019289-A2 TETRAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-14 — — WO disclosed
US-20080039375-A1 Phosphorus-containing hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2008-02-14 — — US disclosed
US-20070265452-A1 Method for Preparing 2-Alkoxy-5-Tetrazolyl-Benzaldehyde Compound TOYO KASEI KOGYO COMPANY LIMITED (JP) 2007-11-15 — — US disclosed
EP-1813605-A1 METHOD FOR PREPARING 2-ALKOXY-5-TETRAZOLYL-BENZALDEHYDE COMPOUND TOYO KASEI KOGYO COMPANY LIMITED (JP) 2007-08-01 — — EP disclosed
WO-2005044008-A2 2 -AMINOTHIOPHENE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2005-05-19 — — WO disclosed
EP-0039892-B1 SUBSTITUTED PHENYL ETHERS CIBA-GEIGY AG (CH) 1986-12-30 — — EP disclosed
US-4559354-A ADRENERGIC BLOCKING AGENTS AND STIMULANTS; CARDIOTONIC, ANTIARRHYTHMIA AND INOTROPIC AGENTS CIBA-GEIGY CORPORATION (US) 1985-12-17 — — 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 (3 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-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 LTA4H 22/4885NPC1 1678/4885RAB9A 1459/4885
US-20080039375-A1 Phosphorus-containing hepatitis C serine protease inhibitors PRSS1, PPP4C, G6PC1 LTA4H 856/4885NPC1 376/4885RAB9A 2751/4885
US-20070265452-A1 Method for Preparing 2-Alkoxy-5-Tetrazolyl-Benzaldehyde Compound ESD, ALKBH5, TST LTA4H 301/4885NPC1 4504/4885RAB9A 4742/4885

“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.