SCHEMBL2279409

SCHEMBL2279409

COCOc1c(C)cccc1B(O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.55
SCN4A P35499 9/20 0.42
LMNA P02545 2/20 0.42
SCN1A P35498 2/20 0.42
SCN5A Q14524 2/20 0.42
SCN9A Q15858 2/20 0.42
TSHR P16473 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
NFKB1 P19838 2/20 0.42
CYP2C9 P11712 1/20 0.42
KCNK3 O14649 1/20 0.42
CACNA1F O60840 1/20 0.42
KCNK2 O95069 1/20 0.42
GBA1 P04062 1/20 0.42
MAOA P21397 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR2B P41595 1/20 0.42

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
SCHEMBL13594738 0.88 PTPN1 (0.61) PTPN1SCN4ALMNASCN1ASCN5A
SCHEMBL29957334 0.82 PTPN1 (0.42) PTPN1ENPP2KDM4EKMT2A
SCHEMBL23350067 0.82 PTPN1 (0.42) PTPN1ENPP2
SCHEMBL29955198 0.82 ENPP2 (0.53) PTPN1LMNATSHRCYP1A2CYP3A4
SCHEMBL30254552 0.81 SCN4A (0.44) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL14834564 0.79 PTPN1 (0.57) PTPN1SCN4ALMNASCN1ASCN5A
SCHEMBL5840798 0.78 EGFR (0.41) PTPN1LMNASCN8AENPP2KDM4E
SCHEMBL29458390 0.78 ENPP2 (0.50) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL2944532 0.78 ENPP2 (0.50) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL22696387 0.77 SCN4A (0.56) PTPN1SCN4ALMNASCN1ASCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989438-B2 Therapeutic compounds ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-08-02 US disclosed
WO-2010082050-A1 MACROCYCLIC AND 7-AMINOALKYL-SUBSTITUTED BENZOXAZOCINES FOR TREATMENT OF HEPATITIS C INFECTIONS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2010-07-22 WO disclosed
EP-2178885-A1 MACROCYCLIC INDOLE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INFECTIONS Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2010-04-28 EP disclosed
EP-2178886-A1 MACROCYCLIC INDOLE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INFECTIONS Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2010-04-28 EP disclosed
US-20090048239-A1 Therapeutic compounds MSD ITALIA S.R.L. (IT) 2009-02-19 US disclosed
WO-2009010783-A1 MACROCYCLIC INDOLE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INFECTIONS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-01-22 WO disclosed
WO-2009010785-A1 MACROCYCLIC INDOLE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INFECTIONS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-01-22 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 (1 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-20090048239-A1 Therapeutic compounds RRP1B, RCE1, CTSZ PTPN1 3697/4885SCN4A 3417/4885LMNA 2129/4885

“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.