SCHEMBL16815239

SCHEMBL16815239

COc1ccc2nc(-c3cc[n+](CCCCCC(=O)O)cc3)oc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.48
SMN1; SMN2 Q16637 5/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
APP P05067 3/20 0.44
TP53 P04637 2/20 0.43
MAPT P10636 5/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 2/20 0.42
F2RL3 Q96RI0 1/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
ATM Q13315 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
Bromide SCHEMBL16817759 0.99 HDAC6 (0.47) HDAC6SMN1; SMN2NPC1RAB9AAPP
SCHEMBL16815230 0.90 PDE2A (0.49) KDM4EALDH1A1TLR7
SCHEMBL20057582 0.87 MAPT (0.48) MAPTF2RL3KDM4EALDH1A1TLR7
Betaine SCHEMBL16817835 0.85 TLR7 (0.43) SMN1; SMN2MAPTPOLBKDM4EALDH1A1
SCHEMBL16815204 0.85 ESR2 (0.54) NPC1RAB9AAPPCASP3
SCHEMBL16815270 0.85 APP (0.49) HDAC6SMN1; SMN2NPC1RAB9AAPP
SCHEMBL16848747 0.84 TLR9 (0.44) SMN1; SMN2MAPTPOLBTLR7
Bromide SCHEMBL16817757 0.84 ESR2 (0.53) NPC1RAB9AAPPCASP3
SCHEMBL20057418 0.84 TLR9 (0.43) SMN1; SMN2MAPTPOLBTLR7
Bromide SCHEMBL16817772 0.84 APP (0.48) HDAC6SMN1; SMN2NPC1RAB9AAPP

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
EP-2886542-B1 Marker dyes for UV and short-wave excitation with high Stokes shift on the basis of benzoxazoles DYOMICS GMBH (DE) 2018-04-18 EP disclosed
US-9453010-B2 Marker dyes for UV and short wave excitation with high stokes shift based on benzoxazoles DYOMICS GMBH (DE) 2016-09-27 US disclosed
US-20150175591-A1 MARKER DYES FOR UV AND SHORT WAVE EXCITATION WITH HIGH STOKES SHIFT BASED ON BENZOXAZOLES DYOMICS GMBH (DE) 2015-06-25 US disclosed
EP-2886542-A1 Marker dyes for UV and short-wave excitation with high Stokes shift on the basis of benzoxazoles Dyomics GmbH (DE) 2015-06-24 EP 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-20150175591-A1 MARKER DYES FOR UV AND SHORT WAVE EXCITATION WITH HIGH STOKES SHIFT BASED ON BENZOXAZOLES NR2E3, H1-10, NR0B1 HDAC6 1477/4885SMN1; SMN2 4555/4885NPC1 3961/4885

“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.