SCHEMBL168121

SCHEMBL168121

CCOC(=O)c1nn(-c2ccc(F)cc2)cc1OCC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.73
RAB9A P51151 7/20 0.73
LMNA P02545 1/20 0.73
ALDH1A1 P00352 6/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
KDM4E B2RXH2 4/20 0.55
GABRA2 P47869 1/20 0.51
GABRB2 P47870 1/20 0.51
MAPT P10636 1/20 0.51
NPSR1 Q6W5P4 3/20 0.50
GLA P06280 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL167000 0.90 NPC1 (0.73) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL30367344 0.89 NPC1 (0.65) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL167610 0.87 NPC1 (0.63) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL176297 0.87 NPC1 (0.57) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL176089 0.86 NPC1 (0.56) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL168302 0.86 NPC1 (0.56) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL168643 0.84 NPC1 (1.00) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL14813033 0.83 NPC1 (0.74) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL167525 0.83 AURKA (0.53) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL30701191 0.82 NPC1 (0.73) NPC1RAB9ALMNAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8999982-B2 Pharmaceutically active compounds as Axl inhibitors LEAD DISCOVERY CENTER GMBH (DE) 2015-04-07 US disclosed
EP-2609091-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2014-11-26 EP disclosed
US-20140018365-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WISSENSCCHAFTEN E.V. (DE) 2014-01-16 US disclosed
EP-2609091-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS Lead Discovery Center GmbH (DE) 2013-07-03 EP disclosed
WO-2012028332-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2012-03-08 WO disclosed
EP-2423208-A1 Pharmaceutically active compounds as Axl inhibitors Lead Discovery Center GmbH (DE) 2012-02-29 EP 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-20140018365-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS AXL, FLT3, ERBB3 NPC1 3417/4885RAB9A 1235/4885LMNA 4125/4885

“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.