SCHEMBL709083

SCHEMBL709083

C(=Cc1nc2ccccc2[nH]1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.81
RAB9A P51151 10/20 0.81
KMT2A Q03164 8/20 0.81
ALDH1A1 P00352 7/20 0.81
KDM4E B2RXH2 7/20 0.81
MEN1 O00255 7/20 0.81
SMN1; SMN2 Q16637 5/20 0.81
HPGD P15428 4/20 0.81
PKM P14618 3/20 0.81
HSP90AA1 P07900 1/20 0.81
MAPT P10636 6/20 0.72
LMNA P02545 4/20 0.72
GAA P10253 4/20 0.72
GLA P06280 2/20 0.72
TP53 P04637 1/20 0.72
HTT P42858 3/20 0.55
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
RECQL P46063 1/20 0.55

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
SCHEMBL709082 1.00 NPC1 (0.81) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL31305038 0.92 NPC1 (0.89) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL29660212 0.90 NPC1 (1.00) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL537904 0.90 NPC1 (1.00) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL537905 0.90 NPC1 (1.00) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL1193924 0.88 NPC1 (0.71) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL1193922 0.88 NPC1 (0.71) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL29539476 0.84 ALDH1A1 (0.81) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL1086985 0.84 ALDH1A1 (0.81) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL1086983 0.84 ALDH1A1 (0.81) NPC1RAB9AKMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124625-B2 enhancing the expression of apoAI; prevention or therapy of dislipidemia SHIONOGI & CO., LTD. (JP) 2012-02-28 US disclosed
US-8053445-B2 Utilities of olefin derivatives SHIONOGI & CO., LTD. (JP) 2011-11-08 US disclosed
US-20090036457-A1 Utilities of olefin derivatives YAMAMORI TERUO 2009-02-05 US disclosed
US-20040242615-A1 Utilities of olefin derivatives SHIONOGI & CO., LTD. (JP) 2004-12-02 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 (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-20040242615-A1 Utilities of olefin derivatives APOL1, NR1H2, APOB NPC1 19/4885RAB9A 4723/4885KMT2A 3382/4885
US-20090036457-A1 Utilities of olefin derivatives APOL1, APOB, NR1H2 NPC1 48/4885RAB9A 4606/4885KMT2A 3744/4885

“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.