SCHEMBL5749500

SCHEMBL5749500

COc1ccc2cc(Br)ccc2c1OC

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.57
TDO2 P48775 4/20 0.57
POLB P06746 1/20 0.51
RXFP1 Q9HBX9 4/20 0.49
LMNA P02545 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPT P10636 2/20 0.47
CYP3A4 P08684 1/20 0.47
NCEH1 Q6PIU2 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CDC42 P60953 2/20 0.44
RAC1 P63000 2/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL8154614 0.87 IDO1 (0.55) IDO1TDO2POLBRXFP1LMNA
SCHEMBL5752075 0.84 POLB (0.48) IDO1TDO2POLBRXFP1LMNA
SCHEMBL30638066 0.83 MAPT (0.55) IDO1TDO2POLBRXFP1LMNA
SCHEMBL3829305 0.83 MAPT (0.55) IDO1TDO2POLBRXFP1LMNA
SCHEMBL3019686 0.83 NCEH1 (0.58) IDO1TDO2POLBRXFP1LMNA
SCHEMBL5752998 0.81 POLB (0.55) IDO1TDO2POLBRXFP1LMNA
SCHEMBL5478495 0.80 LMNA (0.45) IDO1TDO2POLBRXFP1LMNA
SCHEMBL8395861 0.80 POLB (0.50) IDO1TDO2POLBRXFP1LMNA
SCHEMBL3160115 0.80 POLB (0.50) IDO1TDO2POLBRXFP1LMNA
SCHEMBL13781592 0.80 NCEH1 (0.60) IDO1TDO2POLBRXFP1LMNA

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 7 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-2000008495-A2 ANTIPROLIFERATIVE NAPHTHOQUINONES, DERIVATIVES, COMPOSITIONS, AND USES THEREOF UNIVERSITY OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2000-02-17 WO 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 IDO1 1675/4885TDO2 414/4885POLB 2225/4885

“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.