SCHEMBL3977319

SCHEMBL3977319

O=C=Nc1ccc(OC(F)(F)F)c(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 2/20 0.38
TRPA1 O75762 1/20 0.38
TSHR P16473 1/20 0.34
SLC1A5 Q15758 2/20 0.33
EPHX2 P34913 2/20 0.33
MBOAT4 Q96T53 1/20 0.31
PDE2A O00408 1/20 0.30

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
SCHEMBL11535247 0.88 MAPK1 (0.41) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL11533356 0.88 MAPK1 (0.41) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL11528700 0.86 TDP1 (0.37) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL10918491 0.82 TDP1 (0.41) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL17130393 0.82 EPHX2 (0.46) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL20870998 0.81 EPHX2 (0.35) MAPK1TDP1SLC1A5EPHX2MBOAT4
SCHEMBL9859232 0.81 CYP3A4 (0.49) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL1555311 0.81 MAPK1 (0.56) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL29873844 0.78 SLC22A12 (0.38) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL21239459 0.78 SLC22A12 (0.38) MAPK1TDP1CYP3A4TRPA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554240-B1 SUBSTITUTED TETRALINS AND INDANES AND THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2009-05-06 EP disclosed
US-7351857-B2 Methods of using substituted tetralins and indanes JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-01 US disclosed
CN-100349864-C Treating syndrome X with substituted tetralins and indanes JANSSEN PHARMACEUTICA NV (BE) 2007-11-21 CN disclosed
US-20060247314-A1 Substituted tetralins and indanes JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-02 US disclosed
US-20060094786-A1 Treating syndrome X with substituted tetralins and indanes JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-04 US disclosed
US-20060074130-A1 Methods of using substituted tetralins and indanes JANSSEN PHARMACEUTICA N.V. (BE) 2006-04-06 US disclosed
CN-1726188-A Treatment of syndrome X with substituted 1,2,3, 4-tetrahydronaphthalenes and indanes JANSSEN PHARMACEUTICA NV (BE) 2006-01-25 CN disclosed
EP-1569897-A1 SUBSTITUTED TETRALINS AND INDANES JANSSEN PHARMACEUTICA N.V. (BE) 2005-09-07 EP disclosed
EP-1556344-A1 TREATING SYNDROME X WITH SUBSTITUTED TETRALINS AND INDANES JANSSEN PHARMACEUTICA N.V. (BE) 2005-07-27 EP disclosed
EP-1554240-A1 SUBSTITUTED TETRALINS AND INDANES AND THEIR USE JANSSEN PHARMACEUTICA N.V. (BE) 2005-07-20 EP disclosed
US-20040171680-A1 Treating Syndrome X with substituted tetralins and indanes JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-02 US disclosed
US-20040167211-A1 Methods of using substituted tetralins and indanes JANSSEN PHARMACEUTICA N.V. (BE) 2004-08-26 US disclosed
US-20040162352-A1 Treating syndrome X with substituted tetralins and indanes JANSSEN PHARMACEUTICA N.V. (BE) 2004-08-19 US disclosed
WO-2004037779-A1 SUBSTITUTED TETRALINS AND INDANES AND THEIR USE JANSSEN PHARMACEUTICA, N.V. (BE) 2004-05-06 WO disclosed
WO-2004037777-A1 TREATING SYNDROME X WITH SUBSTITUTED TETRALINS AND INDANES JANSSEN PHARMACEUTICA, N.V. (BE) 2004-05-06 WO disclosed
WO-2004037778-A1 SUBSTITUTED TETRALINS AND INDANES JANSSEN PHARMACEUTICA, N.V. (BE) 2004-05-06 WO disclosed
US-4140792-A INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1979-02-20 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 (6 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-20060094786-A1 Treating syndrome X with substituted tetralins and indanes PPARG, PPARA, PPARD MAPK1 2463/4885TDP1 1836/4885CYP3A4 1804/4885
US-20060074130-A1 Methods of using substituted tetralins and indanes PPARA, PPARG, PPARD MAPK1 2576/4885TDP1 3167/4885CYP3A4 509/4885
US-20040171680-A1 Treating Syndrome X with substituted tetralins and indanes PPARG, PPARA, PPARD MAPK1 2463/4885TDP1 1836/4885CYP3A4 1804/4885
US-20040162352-A1 Treating syndrome X with substituted tetralins and indanes PPARG, PPARA, PPARD MAPK1 2463/4885TDP1 1836/4885CYP3A4 1804/4885
US-20040167211-A1 Methods of using substituted tetralins and indanes PPARA, PPARG, PPARD MAPK1 2576/4885TDP1 3167/4885CYP3A4 509/4885
US-20060247314-A1 Substituted tetralins and indanes PPARA, PPARG, PPARD MAPK1 2004/4885TDP1 2435/4885CYP3A4 455/4885

“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.