SCHEMBL479548

SCHEMBL479548

CNc1nc(Cl)ccc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
NNMT P40261 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.39
LRRK2 Q5S007 1/20 0.39
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 2/20 0.38
HSD17B10 Q99714 1/20 0.37
MAPT P10636 3/20 0.36
NPC1 O15118 1/20 0.36
AHR P35869 1/20 0.36
SYK P43405 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36

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
SCHEMBL2525382 0.84 MAPK8 (0.44) ALDH1A1KDM4EGLAGAANNMT
SCHEMBL898592 0.83 GABRP (0.43) ALDH1A1KDM4EGAASMN1; SMN2LRRK2
SCHEMBL22993612 0.80 NNMT (0.41) ALDH1A1KDM4EGLAGAANNMT
SCHEMBL1169882 0.80 TUBB4A (0.51) ALDH1A1KDM4EGLAGAASMN1; SMN2
SCHEMBL10169307 0.79 NPC1 (0.52) ALDH1A1KDM4EGLAGAASMN1; SMN2
SCHEMBL14684399 0.77 NNMT (0.37) ALDH1A1NNMTSMN1; SMN2KMT2ARAB9A
SCHEMBL30283037 0.77 SYK (0.54) ALDH1A1SMN1; SMN2KMT2AHPGDRAB9A
SCHEMBL2527196 0.77 JAK3 (0.46) ALDH1A1KDM4ENNMTHPGDHSD17B10
SCHEMBL28994632 0.77 SYK (0.54) ALDH1A1SMN1; SMN2KMT2AHPGDRAB9A
SCHEMBL3648999 0.77 NNMT (0.58) ALDH1A1KDM4EGLAGAANNMT

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3246034-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS Anacor Pharmaceuticals, Inc. (US) 2017-11-22 EP disclosed
EP-3246034-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS Anacor Pharmaceuticals, Inc. (US) 2017-11-22 EP disclosed
EP-2564857-B1 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS INC (US) 2017-05-03 EP disclosed
EP-2564857-B1 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS INC (US) 2017-05-03 EP disclosed
US-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. 2016-11-03 US disclosed
US-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. 2016-11-03 US disclosed
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-9416146-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2016-08-16 US disclosed
US-9416146-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2016-08-16 US disclosed
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US disclosed
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US disclosed
CN-102014927-A Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS INC 2011-04-13 CN disclosed
WO-2010109123-A1 ANTICANCER DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-30 WO disclosed
EP-2187893-A2 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS Anacor Pharmaceuticals, Inc. (US) 2010-05-26 EP disclosed
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. (US) 2009-11-26 US disclosed
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. (US) 2009-11-26 US disclosed
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. (US) 2009-11-26 US disclosed
WO-2009111676-A2 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC (US) 2009-09-11 WO disclosed
WO-2009111676-A2 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC (US) 2009-09-11 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-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 ALDH1A1 3761/4885KDM4E 4296/4885GLA 795/4885
US-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 ALDH1A1 3761/4885KDM4E 4296/4885GLA 795/4885

“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.