SCHEMBL3967708

SCHEMBL3967708

[CH2]c1cc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.61
LMNA P02545 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
KDM4E B2RXH2 3/20 0.56
HPGD P15428 3/20 0.56
PDE10A Q9Y233 1/20 0.56
DHODH Q02127 1/20 0.53
ACACA Q13085 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SLC2A1 P11166 1/20 0.49
CYP2C9 P11712 1/20 0.47
CYP3A4 P08684 1/20 0.47
TOP1 P11387 1/20 0.47
POLB P06746 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL28846552 0.88 ACP1 (0.50) ACHELMNASMN1; SMN2KDM4EHPGD
SCHEMBL29399315 0.79 ACACA (0.72) ACHELMNASMN1; SMN2KDM4EHPGD
SCHEMBL1042853 0.79 ACACA (0.72) ACHELMNASMN1; SMN2KDM4EHPGD
SCHEMBL4594838 0.78 ACACA (0.75) ACHELMNASMN1; SMN2KDM4EHPGD
SCHEMBL16990162 0.78 ACACA (0.70) ACHELMNASMN1; SMN2KDM4EHPGD
SCHEMBL7450288 0.77 ACHE (0.58) ACHELMNASMN1; SMN2KDM4EHPGD
SCHEMBL4607752 0.76 ACACA (0.73) ACHELMNASMN1; SMN2KDM4EHPGD
SCHEMBL4559016 0.76 ACHE (0.61) ACHELMNASMN1; SMN2KDM4EHPGD
SCHEMBL20707610 0.76 ACHE (0.61) ACHELMNASMN1; SMN2KDM4EHPGD
SCHEMBL785473 0.76 ACHE (0.61) ACHELMNASMN1; SMN2KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030100768-A1 Imidazolidinones and their related derivatives as hepatitis C virus NS3 protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2003-05-29 US claimed
WO-2002048157-A2 IMIDAZOLIDINONES AND THEIR RELATED DERIVATIVES AS HEPATITIS C VIRUS NS3 PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-06-20 WO claimed
CN-105102442-B Quinoline as anticarcinogen 基因科学医药公司 2018-11-09 CN disclosed
US-7595317-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-29 US disclosed
US-7294624-B2 Osteoporosis; antiarthritic agents BRISTOL MYERS SQUIBB COMPANY (US) 2007-11-13 US disclosed
US-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES DUAN JINGWU 2007-07-19 US disclosed
US-6727366-B2 SUCH AS (4S)-N(((1R)-1-((3AS),4S,6S,7AR)-HEXAHYDRO-3A,5,5-TRIMETHYL-4,6-METHANO1 -1,3,2-BENZODIOXABOROL-2-YL)PROPYL)-3,5-(((2S)-3-METHYL-2-((PHENYLACETYL -AMINO)-BUTANOYL)-2-OXO-1-(3-P HENYLPROPYL)-4-IMIDAZOLIDINECARBOXAMIDE BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-04-27 US disclosed
WO-2003053941-A2 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-ALPHA CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO disclosed
US-20030100768-A1 Imidazolidinones and their related derivatives as hepatitis C virus NS3 protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2003-05-29 US disclosed
WO-2003040103-A1 β-SULFONE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-α CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2003-05-15 WO disclosed
WO-2002048157-A2 IMIDAZOLIDINONES AND THEIR RELATED DERIVATIVES AS HEPATITIS C VIRUS NS3 PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-06-20 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 (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-20030100768-A1 Imidazolidinones and their related derivatives as hepatitis C virus NS3 protease inhibitors PRSS1, SPINT2, SERPINB1 ACHE 3803/4885LMNA 2518/4885SMN1; SMN2 4044/4885
US-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES TNF, MMP9, MMP3 ACHE 1032/4885LMNA 435/4885SMN1; SMN2 3011/4885

“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.