SCHEMBL1307443

SCHEMBL1307443

O=C(O)c1ccc(C=C(CNC2CCN(Cc3ccccc3)C2)COc2cccc3ccccc23)cc1

nearest known ligand 0.87

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.87
DRD4 P21917 8/20 0.45
DRD2 P14416 7/20 0.45
GCGR P47871 1/20 0.44
SIGMAR1 Q99720 2/20 0.43
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
BACE1 P56817 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
ADIPOR2 Q86V24 1/20 0.41
ADIPOR1 Q96A54 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
DRD3 P35462 1/20 0.40
LTA4H P09960 1/20 0.40

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
SCHEMBL1307440 1.00 P2RX3 (0.87) P2RX3DRD4DRD2GCGRSIGMAR1
SCHEMBL1307441 1.00 P2RX3 (0.87) P2RX3DRD4DRD2GCGRSIGMAR1
SCHEMBL1306234 0.93 P2RX3 (1.00) P2RX3DRD4DRD2GCGRSIGMAR1
SCHEMBL1306237 0.93 P2RX3 (1.00) P2RX3DRD4DRD2GCGRSIGMAR1
SCHEMBL1306231 0.93 P2RX3 (1.00) P2RX3DRD4DRD2GCGRSIGMAR1
SCHEMBL1307354 0.91 P2RX3 (0.72) P2RX3KDM4EMEN1ALDH1A1POLB
SCHEMBL1307048 0.91 P2RX3 (0.72) P2RX3KDM4EMEN1ALDH1A1POLB
SCHEMBL1307046 0.91 P2RX3 (0.72) P2RX3KDM4EMEN1ALDH1A1POLB
SCHEMBL1308398 0.88 P2RX3 (0.68) P2RX3KDM4EMEN1ALDH1A1POLB
SCHEMBL1308395 0.88 P2RX3 (0.68) P2RX3KDM4EMEN1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2913322-A2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same Korea Research Institute Of Chemical Technology (KR) 2015-09-02 EP disclosed
US-8053435-B2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-11-08 US disclosed
US-20100069630-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-03-18 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 (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-20100069630-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC3, HDAC11 P2RX3 4630/4885DRD4 4337/4885DRD2 4611/4885

“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.