SCHEMBL5748437

SCHEMBL5748437

C=C(C)c1c(OC)ccc2cc(C(=O)c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)ccc12

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 4/20 0.36
CTSD P07339 1/20 0.35
IDO1 P14902 3/20 0.34
TDO2 P48775 3/20 0.34
APAF1 O14727 1/20 0.34
NSD2 O96028 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTPN1 P18031 1/20 0.32

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
SCHEMBL5678341 0.80 KDM4E (0.46) SIRT2CYP1A2CYP2D6HPGDCYP2C19
SCHEMBL5751865 0.79 SIRT2 (0.33) SIRT2IDO1TDO2APAF1NSD2
SCHEMBL4024355 0.78 SIRT2 (0.41) SIRT2
SCHEMBL7828102 0.78 SIRT2 (0.40) SIRT2
SCHEMBL5751606 0.78 SIRT2 (0.35) SIRT2IDO1TDO2
SCHEMBL1414929 0.78 SIRT2 (0.36) SIRT2HPGD
SCHEMBL1414832 0.78 SIRT2 (0.37) SIRT2
SCHEMBL1414925 0.78 SIRT2 (0.34) SIRT2PTPN1
SCHEMBL1414946 0.77 SIRT2 (0.34) SIRT2PTPN1
SCHEMBL1414809 0.75 SIRT2 (0.37) SIRT2

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-7084149-B2 Naphthalene derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-08-01 US disclosed
EP-1073640-B1 NAPHTHALENE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL (JP) 2005-04-13 EP disclosed
US-20030236274-A1 Naphthalene derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-25 US disclosed
US-6573289-B1 Naphthalene derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-06-03 US disclosed
EP-1073640-A1 NAPHTHALENE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2001-02-07 EP disclosed
WO-1999054309-A1 NAPHTHALENE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-28 WO 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-20030236274-A1 Naphthalene derivatives, their production and use CYP17A1, CYP21A2, HSD17B1 SIRT2 3163/4885CTSD 3511/4885IDO1 1675/4885

“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.