SCHEMBL4918147

SCHEMBL4918147

Cn1ccnc1O[Cl+3]([O-])([O-])[O-]

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
LPO P22079 1/20 0.40
KMT2A Q03164 1/20 0.30
SCN9A Q15858 1/20 0.30
HTT P42858 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL11050657 0.73 ALDH1A1 (0.57) KMT2AHTTKDM4E
SCHEMBL2516063 0.73
SCHEMBL12364166 0.72 CHRNB2 (0.42) CHRNB2CHRNA4LPOKMT2AHTT
SCHEMBL20195592 0.71
SCHEMBL2513335 0.70
SCHEMBL12701548 0.68 CHRNB2 (0.50) CHRNB2CHRNA4LPOKMT2AHTT
Hydrochloric Acid SCHEMBL28150747 0.68 CHRNB2 (0.50) CHRNB2CHRNA4LPOKMT2AHTT
Hydrochloric Acid SCHEMBL28178521 0.68 CHRNB2 (0.50) CHRNB2CHRNA4LPOKMT2AHTT
SCHEMBL17115289 0.68
SCHEMBL27788080 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080300418-A1 Synthesis of Cardiolipin Analogues and Uses Thereof AHMAD MOGHIS U 2008-12-04 US claimed
EP-1819715-A2 SYNTHESIS OF CARDIOLIPIN ANALOGUES AND USES THEREOF Neopharm, Inc. (US) 2007-08-22 EP claimed
WO-2006052906-A2 SYNTHESIS OF CARDIOLIPIN ANALOGUES AND USES THEREOF NEOPHARM, INC. (US) 2006-05-18 WO claimed
US-20050266068-A1 Cardiolipin molecules and methods of synthesis NEOPHARM, INC. (US) 2005-12-01 US claimed
EP-1556392-A1 CARDIOLIPIN MOLECULES AND METHOD OF SYNTHESIS Neopharm, Inc. (US) 2005-07-27 EP claimed
WO-2004039817-A9 CARDIOLIPIN MOLECULES AND METHOD OF SYNTHESIS NEOPHARM INC (US) 2004-07-22 WO claimed
WO-2004039817-A1 CARDIOLIPIN MOLECULES AND METHOD OF SYNTHESIS NEOPHARM, INC. (US) 2004-05-13 WO claimed
US-20080300418-A1 Synthesis of Cardiolipin Analogues and Uses Thereof AHMAD MOGHIS U 2008-12-04 US disclosed
EP-1819715-A2 SYNTHESIS OF CARDIOLIPIN ANALOGUES AND USES THEREOF Neopharm, Inc. (US) 2007-08-22 EP disclosed
WO-2006052906-A2 SYNTHESIS OF CARDIOLIPIN ANALOGUES AND USES THEREOF NEOPHARM, INC. (US) 2006-05-18 WO disclosed
US-20050266068-A1 Cardiolipin molecules and methods of synthesis NEOPHARM, INC. (US) 2005-12-01 US disclosed
EP-1556392-A1 CARDIOLIPIN MOLECULES AND METHOD OF SYNTHESIS Neopharm, Inc. (US) 2005-07-27 EP disclosed
WO-2004039817-A1 CARDIOLIPIN MOLECULES AND METHOD OF SYNTHESIS NEOPHARM, INC. (US) 2004-05-13 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-20050266068-A1 Cardiolipin molecules and methods of synthesis PHOSPHO1, MGLL, LIPA CHRNB2 4375/4885CHRNA4 4738/4885LPO 1119/4885
US-20080300418-A1 Synthesis of Cardiolipin Analogues and Uses Thereof PHOSPHO1, SGMS1, SGMS2 CHRNB2 3827/4885CHRNA4 4011/4885LPO 2940/4885

“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.