SCHEMBL17709258

SCHEMBL17709258

[CH2]c1ccc2cc(N(C)C)ccc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.55
TERT O14746 1/20 0.55
PSMB5 P28074 7/20 0.49
EGFR P00533 2/20 0.49
APAF1 O14727 3/20 0.42
SLC2A1 P11166 1/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
GSR P00390 2/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
THRB P10828 2/20 0.39
PKM P14618 2/20 0.39
MAOA P21397 2/20 0.39
MAPK1 P28482 2/20 0.39
PPARG P37231 2/20 0.39
HTT P42858 2/20 0.39
RAD52 P43351 2/20 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
SCHEMBL28039416 0.80 PSMB5 (0.36) APPTERTPSMB5EGFRSLC2A1
SCHEMBL12647016 0.79 APP (0.71) APPTERTPSMB5EGFRAPAF1
SCHEMBL645554 0.78 CYP1A2 (0.61) APPTERTPSMB5EGFRAPAF1
SCHEMBL29589893 0.78 CYP1A2 (0.61) APPTERTPSMB5EGFRAPAF1
SCHEMBL5440195 0.76 TERT (0.55) APPTERTPSMB5EGFRAPAF1
SCHEMBL1724450 0.75 CYP1A2 (0.63) PSMB5PDE3BPDE3AKDM4EMEN1
SCHEMBL12566471 0.75 TERT (0.64) APPTERTPSMB5EGFRAPAF1
SCHEMBL16289589 0.72 CYP1A2 (0.39) KDM4EPOLBCASP6
SCHEMBL16246599 0.72 SLC2A1 (0.51) APPTERTPSMB5EGFRAPAF1
SCHEMBL28491104 0.72 NQO1 (0.60) APPTERTPSMB5EGFRAPAF1

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
CN-110437147-B Hypochlorous acid two-photon fluorescence probe HCP and preparation method and application thereof 南京师范大学 2022-03-08 CN claimed
CN-110437147-B Hypochlorous acid two-photon fluorescence probe HCP and preparation method and application thereof 南京师范大学 2022-03-08 CN disclosed
US-10646416-B2 Microcapsules containing a gas-releasing photolabile compound and uses thereof FIRMENICH SA (CH) 2020-05-12 US disclosed
US-20160120773-A1 MICROCAPSULES CONTAINING A GAS-RELEASING PHOTOLABILE COMPOUND AND USES THEREOF FIRMENICH SA (CH) 2016-05-05 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-10646416-B2 Microcapsules containing a gas-releasing photolabile compound and uses thereof ALOX5, TRPA1, FASN APP 621/4885TERT 4314/4885PSMB5 1298/4885
US-20160120773-A1 MICROCAPSULES CONTAINING A GAS-RELEASING PHOTOLABILE COMPOUND AND USES THEREOF ALOX5, TRPA1, FASN APP 621/4885TERT 4314/4885PSMB5 1298/4885

“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.