SCHEMBL18294643

SCHEMBL18294643

Cc1cccc(-c2cc(O)c3cc(N4CCOCC4)ccc3n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.54
MAPT P10636 6/20 0.53
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 4/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
LMNA P02545 2/20 0.53
HCRTR1 O43613 1/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
L3MBTL1 Q9Y468 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
HPGD P15428 2/20 0.51
MAPK1 P28482 1/20 0.51
POLB P06746 1/20 0.48
PIK3CA P42336 5/20 0.46
TDO2 P48775 1/20 0.46
IDO2 Q6ZQW0 1/20 0.46
MTOR P42345 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
SCHEMBL18294610 0.90 ACP1 (0.44) AHRMAPTKDM4EALDH1A1NPC1
SCHEMBL18296346 0.89 PIK3CA (0.56) AHRMAPTKDM4EALDH1A1NPC1
SCHEMBL18294638 0.87 AHR (0.60) AHRMAPTKDM4EALDH1A1NPC1
SCHEMBL18294648 0.85 AHR (0.58) AHRMAPTKDM4EALDH1A1NPC1
SCHEMBL18296607 0.82 KDM4E (0.56) AHRMAPTKDM4EALDH1A1NPC1
SCHEMBL18296610 0.81 JAK2 (0.58) AHRMAPTKDM4EALDH1A1NPC1
SCHEMBL18294647 0.80 TDO2 (0.56) AHRMAPTKDM4EALDH1A1NPC1
SCHEMBL18296636 0.80 KDM4E (0.54) AHRMAPTKDM4EALDH1A1NPC1
SCHEMBL29125442 0.80 KMT2A (0.57) AHRMAPTKDM4EALDH1A1NPC1
SCHEMBL4128644 0.79 MAPT (0.45) AHRMAPTKDM4EALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160354361-A1 NOVEL USE OF ARYL-QUINOLIN DERIVATIVES AS INHIBITORS OF VASCULOGENIC MIMICRY TAIRX INC. (TW) 2016-12-08 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-20160354361-A1 NOVEL USE OF ARYL-QUINOLIN DERIVATIVES AS INHIBITORS OF VASCULOGENIC MIMICRY TEK, FLT1, VHL AHR 79/4885MAPT 4540/4885KDM4E 1014/4885

“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.