SCHEMBL2758622

SCHEMBL2758622

Cc1ccc(-c2oc(-c3ccncc3)nc2C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.56
NPC1 O15118 9/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 9/20 0.54
SMN1; SMN2 Q16637 8/20 0.54
ALDH1A1 P00352 6/20 0.54
HPGD P15428 5/20 0.54
TP53 P04637 4/20 0.54
HSD17B10 Q99714 4/20 0.54
GAA P10253 1/20 0.54
STAT1 P42224 1/20 0.54
IKBKB O14920 2/20 0.45
MAPK14 Q16539 4/20 0.44
MAPK13 O15264 3/20 0.44
MAPK12 P53778 3/20 0.44
MAPK11 Q15759 3/20 0.44
GCGR P47871 2/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 3/20 0.42

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
SCHEMBL272772 0.79 NPC1 (0.50) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL19864312 0.78 MAPK14 (0.73) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL13633790 0.77 TP53 (0.50) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL4883972 0.77 TP53 (0.75) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL869242 0.77 GAA (0.51) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL14195802 0.76 NPC1 (0.56) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL22925728 0.76 KDM4E (0.48) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL8192267 0.75 ENPP3 (0.42) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL2706143 0.75 NPC1 (0.52) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL11514956 0.74 IKBKB (0.37) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9644099-B2 Violet laser excitable dyes and their method of use Life Technologies Corporation (US) 2017-05-09 US disclosed
US-20160355682-A1 VIOLET LASER EXCITABLE DYES AND THEIR METHOD OF USE Life Technologies Corporation 2016-12-08 US disclosed
US-20150050685-A1 VIOLET LASER EXCITABLE DYES AND THEIR METHOD OF USE LIFE TECHNOLOGIES CORP (US) 2015-02-19 US disclosed
US-8822695-B2 Violet laser excitable dyes and their method of use Life Technologies Corporation (US) 2014-09-02 US disclosed
US-20130273569-A1 VIOLET LASER EXCITABLE DYES AND THEIR METHOD OF USE LIFE TECHNOLOGIES CORP (US) 2013-10-17 US disclosed
US-8415477-B2 Violet laser excitable dyes and their method of use Life Technologies Corporation (US) 2013-04-09 US disclosed
US-20120004397-A1 VIOLET LASER EXCITABLE DYES AND THEIR METHOD OF USE Life Technologies Corporation (US) 2012-01-05 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-20130273569-A1 VIOLET LASER EXCITABLE DYES AND THEIR METHOD OF USE KLK3, ALDH1A2, SPR RAB9A 1942/4885NPC1 2968/4885MEN1 1525/4885
US-20120004397-A1 VIOLET LASER EXCITABLE DYES AND THEIR METHOD OF USE KLK3, ALDH1A2, SPR RAB9A 1942/4885NPC1 2968/4885MEN1 1525/4885

“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.