SCHEMBL805840

SCHEMBL805840

CC1(C)OB(c2ccc(-c3nc4ccccc4s3)nc2)OC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.48
NPC1 O15118 7/20 0.48
KDM4E B2RXH2 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SNCA P37840 1/20 0.47
DGAT1 O75907 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
LPL P06858 2/20 0.40
LIPG Q9Y5X9 2/20 0.40
ILK Q13418 2/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL1448847 0.83 SNCA (0.66) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL732658 0.82 SNCA (0.58) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL2748770 0.80 PDGFRB (0.51) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL18015333 0.80 KDM1A (0.48) SNCADGAT1LPLLIPGCYP19A1
SCHEMBL21313409 0.79 SNCA (0.55) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL2147093 0.79 DGAT1 (0.45) SNCADGAT1LPLLIPG
SCHEMBL29081683 0.78 KDM4E (0.52) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL2496185 0.77 RAB9A (0.53) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL20068614 0.77 DGAT1 (0.56) DGAT1LPLLIPG
SCHEMBL18859794 0.76 DGAT1 (0.43) SNCADGAT1LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616457-B1 SUBSTITUTED BIPYRIDINES FOR USE IN ORGANIC LIGHT-EMITTING DEVICES NITTO DENKO CORP (JP) 2016-06-22 EP disclosed
EP-2616457-B1 SUBSTITUTED BIPYRIDINES FOR USE IN ORGANIC LIGHT-EMITTING DEVICES NITTO DENKO CORP (JP) 2016-06-22 EP disclosed
US-9328086-B2 Substituted bipyridines for use in organic light-emitting devices NITTO DENKO CORPORATION (JP) 2016-05-03 US disclosed
US-9328086-B2 Substituted bipyridines for use in organic light-emitting devices NITTO DENKO CORPORATION (JP) 2016-05-03 US disclosed
US-9328086-B2 Substituted bipyridines for use in organic light-emitting devices NITTO DENKO CORPORATION (JP) 2016-05-03 US disclosed
US-20120179089-A1 SUBSTITUTED BIPYRIDINES FOR USE IN ORGANIC LIGHT-EMITTING DEVICES NITTO DENKO CORPORATION (JP) 2012-07-12 US disclosed
US-20120179089-A1 SUBSTITUTED BIPYRIDINES FOR USE IN ORGANIC LIGHT-EMITTING DEVICES NITTO DENKO CORPORATION (JP) 2012-07-12 US disclosed
US-20120179089-A1 SUBSTITUTED BIPYRIDINES FOR USE IN ORGANIC LIGHT-EMITTING DEVICES NITTO DENKO CORPORATION (JP) 2012-07-12 US disclosed
WO-2012037269-A1 SUBSTITUTED BIPYRIDINES FOR USE IN ORGANIC LIGHT-EMITTING DEVICES NITTO DENKO CORPORATION (JP) 2012-03-22 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 (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-20120179089-A1 SUBSTITUTED BIPYRIDINES FOR USE IN ORGANIC LIGHT-EMITTING DEVICES BRD9, PIR, BRD2 RAB9A 3592/4885NPC1 4104/4885KDM4E 2607/4885

“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.