SCHEMBL6631411

SCHEMBL6631411

BrCc1cc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.58
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 2/20 0.53
PDE10A Q9Y233 1/20 0.53
HPGD P15428 1/20 0.53
SLC2A1 P11166 2/20 0.50
DHODH Q02127 1/20 0.50
CYP2C9 P11712 1/20 0.49
ACACA Q13085 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TACR3 P29371 1/20 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
SCHEMBL12527451 0.89 ALDH1A1 (0.51) ACHELMNASMN1; SMN2KDM4EPDE10A
SCHEMBL1259674 0.83 ACHE (0.59) ACHELMNASMN1; SMN2KDM4EPDE10A
SCHEMBL4270886 0.81 ACHE (0.58) ACHELMNASMN1; SMN2KDM4EPDE10A
SCHEMBL27914382 0.81 ACHE (0.58) ACHELMNASMN1; SMN2KDM4EPDE10A
SCHEMBL7450288 0.81 ACHE (0.58) ACHELMNASMN1; SMN2KDM4EPDE10A
SCHEMBL3968020 0.81 ACHE (0.58) ACHELMNASMN1; SMN2KDM4EPDE10A
SCHEMBL13243228 0.81 ESRRB (0.59) ACHELMNASMN1; SMN2KDM4EPDE10A
SCHEMBL20809020 0.81 DHODH (0.57) ACHELMNASMN1; SMN2KDM4EPDE10A
Hydrochloric Acid SCHEMBL1260759 0.80 ACHE (0.56) ACHELMNASMN1; SMN2KDM4EPDE10A
SCHEMBL28619856 0.80 ACHE (0.56) ACHELMNASMN1; SMN2KDM4EPDE10A

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
EP-1027332-B1 NOVEL LACTAM METALLOPROTEASE INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-05-26 EP 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
US-6610731-B2 Antiinflammatory BRISTOL-MYERS SQUIBB COMPANY 2003-08-26 US disclosed
US-20030134827-A1 Novel lactam metalloprotease inhibitors DUAN JINGWU (US) 2003-07-17 US 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-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
US-6403632-B1 CYCLIC AMIDE DERIVATIVE BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-06-11 US disclosed
CN-1272841-A Novel lactam metalloprotease inhibitors DU PONT PHARM CO (US) 2000-11-08 CN disclosed
EP-1027332-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-08-16 EP disclosed
US-6057336-A ANTIINFLAMMATORY AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 US disclosed
WO-1999018074-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Britol-Myers Squibb Pharma Company (US) 1999-04-15 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-20030134827-A1 Novel lactam metalloprotease inhibitors ADAM9, ADAM8, ADAM17 ACHE 405/4885LMNA 3025/4885SMN1; SMN2 2789/4885

“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.