SCHEMBL18875232

SCHEMBL18875232

c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ccccc3s2)ccc1-c1ccc(-c2nc3ccccc3o2)cc1N1c2ccccc2Sc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.41
RAB9A P51151 7/20 0.41
NFKB1 P19838 5/20 0.41
NFKB2 Q00653 5/20 0.41
RELA Q04206 5/20 0.41
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
MAPT P10636 4/20 0.41
HPGD P15428 4/20 0.41
TP53 P04637 4/20 0.41
LMNA P02545 4/20 0.41
GAA P10253 2/20 0.41
STAT1 P42224 1/20 0.41
GFER P55789 1/20 0.41
HSD17B10 Q99714 3/20 0.41
PKM P14618 2/20 0.41
HPSE Q9Y251 2/20 0.38
GLA P06280 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL18875246 1.00 NPC1 (0.41) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL18875190 0.94 NPC1 (0.46) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL18875201 0.91 RAB9A (0.48) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL18875257 0.91 TP53 (0.42) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL18875219 0.85 TP53 (0.39) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL18875223 0.85 TP53 (0.39) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL18875138 0.84 RAB9A (0.54) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL18875160 0.83 TP53 (0.48) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL18875300 0.82 RAB9A (0.41) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL18875211 0.82 KDM4E (0.34) NPC1RAB9ANFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170148996-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC OPTOELECTRONIC DEVICES COMPRISING THE SAME WUHAN TIANMA MICROELECTRONICS CO., LTD.SHANGHAI BRANCH (CN) 2017-05-25 US disclosed
US-20170148996-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC OPTOELECTRONIC DEVICES COMPRISING THE SAME WUHAN TIANMA MICROELECTRONICS CO., LTD.SHANGHAI BRANCH (CN) 2017-05-25 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 (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-20170148996-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC OPTOELECTRONIC DEVICES COMPRISING THE SAME OR10J3, PPOX, OR51E2 NPC1 3621/4885RAB9A 2603/4885NFKB1 4462/4885

“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.