SCHEMBL17280240

SCHEMBL17280240

c1ccc(-c2nc(-c3cccc(-c4c[nH]c(-c5ccccn5)n4)c3)c[nH]2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.49
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
KDM4E B2RXH2 6/20 0.47
LMNA P02545 4/20 0.47
PKM P14618 3/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
ALPL P05186 2/20 0.47
ALOX15 P16050 2/20 0.47
HTT P42858 2/20 0.47
CCR1 P32246 2/20 0.47
CCR5 P51681 2/20 0.47
CCR8 P51685 2/20 0.47
TP53 P04637 1/20 0.47
HSP90AA1 P07900 1/20 0.47
ALPI P09923 1/20 0.47
ALPG P10696 1/20 0.47

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
SCHEMBL5493272 0.91 NPC1 (0.54) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL8311607 0.85 KDM4E (0.56) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL18015593 0.85 KDM4E (0.44) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL28397335 0.84 CCR1 (0.51) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL2840954 0.84 HPGDS (0.61) SMN1; SMN2NPC1RAB9AKDM4EPKM
SCHEMBL2834196 0.83 GRM5 (0.51) SMN1; SMN2NPC1RAB9ANPY5RMETAP1
SCHEMBL2834537 0.83 HPGDS (0.52) SMN1; SMN2NPC1RAB9ALMNAPKM
SCHEMBL28406670 0.83 NOTUM (0.63) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL1303807 0.81 NPY5R (0.42) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL28730640 0.81 HPGDS (0.53) SMN1; SMN2NPC1RAB9AKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180203175-A1 TRIAZOLE COMPOUND Konica Minolta, Inc. (JP) 2018-07-19 US disclosed
US-20180203175-A1 TRIAZOLE COMPOUND Konica Minolta, Inc. (JP) 2018-07-19 US disclosed
US-10012777-B2 Resin composition Konica Minolta, Inc. (JP) 2018-07-03 US disclosed
US-10012777-B2 Resin composition Konica Minolta, Inc. (JP) 2018-07-03 US disclosed
US-20150338563-A1 RESIN COMPOSITION, TRIAZOLE COMPOUND, OPTICAL FILM, POLARIZING PLATE, OPTICAL LENS, CIRCULARLY POLARIZING PLATE AND IMAGE DISPLAY DEVICE KONICA MINOLTA, INC (JP) 2015-11-26 US disclosed
US-20150338563-A1 RESIN COMPOSITION, TRIAZOLE COMPOUND, OPTICAL FILM, POLARIZING PLATE, OPTICAL LENS, CIRCULARLY POLARIZING PLATE AND IMAGE DISPLAY DEVICE KONICA MINOLTA, INC (JP) 2015-11-26 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 (3 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-20150338563-A1 RESIN COMPOSITION, TRIAZOLE COMPOUND, OPTICAL FILM, POLARIZING PLATE, OPTICAL LENS, CIRCULARLY POLARIZING PLATE AND IMAGE DISPLAY DEVICE HRH3, HELZ, NBAS SMN1; SMN2 4639/4885NPC1 2503/4885RAB9A 1803/4885
US-10012777-B2 Resin composition NBAS, WDR5, HRH3 SMN1; SMN2 4379/4885NPC1 2768/4885RAB9A 2127/4885
US-20180203175-A1 TRIAZOLE COMPOUND H1-10, TTI2, H1-2 SMN1; SMN2 4539/4885NPC1 2718/4885RAB9A 1962/4885

“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.