SCHEMBL1986944

SCHEMBL1986944

COc1ccc2c(c1)c1c(n2C)-c2ccc(C(F)(F)F)cc2SC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CYP26A1 O43174 1/20 0.37
▸ CYP24A1 Q07973 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CCNB2 O95067 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ CCNB1 P14635 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ CDK5R1 Q15078 1/20 0.37
▸ CCNB3 Q8WWL7 1/20 0.37
▸ DRD2 P14416 1/20 0.36

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
SCHEMBL1990059 0.90 KDM4E (0.44) MAPTKDM4EMEN1ALDH1A1HPGD
SCHEMBL12601836 0.86 HTR5A (0.43) MAPTKDM4EMEN1ALDH1A1HPGD
SCHEMBL3028537 0.84 — —
SCHEMBL2003373 0.84 ALDH1A1 (0.40) MAPTKDM4EMEN1ALDH1A1HPGD
SCHEMBL1984044 0.84 MAPT (0.41) MAPTSMN1; SMN2
SCHEMBL12603108 0.84 ALDH1A1 (0.40) MAPTKDM4EMEN1ALDH1A1HPGD
SCHEMBL1986168 0.82 KDM4E (0.49) MAPTKDM4EMEN1ALDH1A1HPGD
SCHEMBL15497475 0.81 S1PR1 (0.35) —
SCHEMBL15497466 0.79 LMNA (0.37) KDM4EHTT
SCHEMBL1988109 0.74 MEN1 (0.39) MEN1KMT2A

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9303037-B2 Tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2016-04-05 — — US disclosed
US-9303037-B2 Tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2016-04-05 — — US disclosed
US-20140066479-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-03-06 — — US disclosed
US-20140066479-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-03-06 — — US disclosed
EP-1796664-B1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2013-11-27 — — EP disclosed
US-8580840-B2 Tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-11-12 — — US disclosed
US-8580840-B2 Tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-11-12 — — US disclosed
US-8580840-B2 Tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-11-12 — — US disclosed
US-8318766-B2 Tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2012-11-27 — — US disclosed
US-8318766-B2 Tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2012-11-27 — — US disclosed
US-20080114048-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS SUI ZHIHUA 2008-05-15 — — US disclosed
EP-1907394-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-09 — — EP disclosed
US-7338973-B2 Tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-04 — — US disclosed
US-7338973-B2 Tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-04 — — US disclosed
US-7338973-B2 Tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-04 — — US disclosed
EP-1796664-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-20 — — EP disclosed
US-20060116513-A1 Novel tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 — — US disclosed
US-20060116415-A1 Novel tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 — — US disclosed
WO-2006047017-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-04 — — WO disclosed
WO-2006034090-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-30 — — 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 (4 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-20060116415-A1 Novel tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators NR5A1, ESRRA, SHBG MAPT 3497/4885KDM4E 3631/4885MEN1 2881/4885
US-20060116513-A1 Novel tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators NR5A1, ESRRA, SHBG MAPT 3497/4885KDM4E 3631/4885MEN1 2881/4885
US-20140066479-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS NR5A1, ESRRA, SHBG MAPT 3497/4885KDM4E 3631/4885MEN1 2881/4885
US-20080114048-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS NR5A1, ESRRA, SHBG MAPT 3497/4885KDM4E 3631/4885MEN1 2881/4885

“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.

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