SCHEMBL7857522

SCHEMBL7857522

[C-]#[N+]c1ccc(Cl)nc1NCCOC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.40
CYP3A4 P08684 4/20 0.40
MAPK1 P28482 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
CYP2C19 P33261 1/20 0.40
LDHA P00338 1/20 0.38
KDM4E B2RXH2 7/20 0.36
ALDH1A1 P00352 6/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 2/20 0.36
KCNH3 Q9ULD8 2/20 0.36
USP2 O75604 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HTT P42858 2/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 3/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL7857619 0.81 CA12 (0.31)
SCHEMBL10254238 0.75 UTS2R (0.45) CYP1A2CYP3A4CLK4CYP2C19LDHA
SCHEMBL7864085 0.74
SCHEMBL2528389 0.73 SMN1; SMN2 (0.46) CYP1A2CYP3A4MAPK1CLK4CYP2C19
SCHEMBL7862938 0.72 APP (0.47) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL2527196 0.71 JAK3 (0.46) CYP1A2CYP3A4MAPK1CLK4CYP2C19
SCHEMBL8246245 0.71 MAPT (0.59) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL7863989 0.71 SLC9A5 (0.36) CYP3A4MEN1KMT2A
SCHEMBL7862949 0.70 CCNE2 (0.33) CYP1A2CYP2C19SMN1; SMN2NPC1RAB9A
SCHEMBL16301208 0.70 KMT2A (0.45) MAPK1KDM4EALDH1A1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. 2016-11-03 US disclosed
US-9416146-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2016-08-16 US disclosed
US-20150291629-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, LLC 2015-10-15 US disclosed
US-9012431-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2015-04-21 US disclosed
US-20140011768-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC 2014-01-09 US disclosed
US-8461135-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
US-20120214765-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2012-08-23 US disclosed
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US disclosed
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. (US) 2009-11-26 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 (5 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-20140011768-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, CD68 CYP1A2 4597/4885CYP3A4 4501/4885MAPK1 1034/4885
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 CYP1A2 4597/4885CYP3A4 4501/4885MAPK1 1034/4885
US-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 CYP1A2 4597/4885CYP3A4 4501/4885MAPK1 1034/4885
US-20150291629-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 CYP1A2 4597/4885CYP3A4 4501/4885MAPK1 1034/4885
US-20120214765-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, CD68 CYP1A2 4597/4885CYP3A4 4501/4885MAPK1 1034/4885

“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.