SCHEMBL15413710

SCHEMBL15413710

O=C1C=CC(=O)c2c(O)c(N3CCN(CCOCCO)CC3)c(Br)c(O)c21

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 2/20 0.98
▸ PABPC1 P11940 2/20 0.98
▸ CASP6 P55212 1/20 0.98
▸ PAX8 Q06710 1/20 0.98
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ BCL2A1 Q16548 1/20 0.39
▸ CDC25B P30305 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.38
▸ HTR1A P08908 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CHRM2 P08172 2/20 0.36
▸ ADRA2A P08913 2/20 0.36
▸ DRD2 P14416 2/20 0.36
▸ ADRA2B P18089 2/20 0.36
▸ ADRA2C P18825 2/20 0.36
▸ DRD4 P21917 2/20 0.36
▸ HRH2 P25021 2/20 0.36
▸ HTR2A P28223 2/20 0.36
▸ HTR7 P34969 2/20 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
SCHEMBL13856939 0.69 NSD2 (0.52) NSD2PABPC1CASP6PAX8KDM4E
SCHEMBL4905012 0.67 HTR1A (0.54) NSD2PABPC1CASP6PAX8KDM4E
SCHEMBL8966405 0.67 — —
SCHEMBL20842260 0.66 HTR1A (0.51) NSD2PABPC1CASP6PAX8KDM4E
SCHEMBL31305373 0.66 MEN1 (0.55) NSD2PABPC1CASP6PAX8KDM4E
SCHEMBL31305372 0.66 MEN1 (0.55) NSD2PABPC1CASP6PAX8KDM4E
SCHEMBL11104593 0.64 KDM4E (0.52) NSD2PABPC1CASP6PAX8KDM4E
SCHEMBL3431530 0.64 HTR1A (0.51) NSD2PABPC1CASP6PAX8KDM4E
SCHEMBL22266161 0.64 KCNH2 (0.62) HTR1ACHRM2ADRA2ADRD2ADRA2B
SCHEMBL27773031 0.64 HTR1A (0.45) NSD2PABPC1CASP6PAX8KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150148292-A1 BONE MORPHOGENETIC PROTEIN PATHWAY ACTIVATION, COMPOSITIONS FOR OSSIFICATION, AND METHODS RELATED THERETO UNIV EMORY (US) 2015-05-28 — — US claimed
US-10933169-B2 Bone morphogenetic protein pathway activation, compositions for ossification, and methods related thereto EMORY UNIVERSITY (US) 2021-03-02 — — US disclosed
US-10434220-B2 Bone morphogenetic protein pathway activation, compositions for ossification, and methods related thereto EMORY UNIVERSITY (US) 2019-10-08 — — US disclosed
US-20160089478-A1 BONE MORPHOGENETIC PROTEIN PATHWAY ACTIVATION, COMPOSITIONS FOR OSSIFICATION, AND METHODS RELATED THERETO UNIV EMORY (US) 2016-03-31 — — US disclosed
US-20150148292-A1 BONE MORPHOGENETIC PROTEIN PATHWAY ACTIVATION, COMPOSITIONS FOR OSSIFICATION, AND METHODS RELATED THERETO UNIV EMORY (US) 2015-05-28 — — US disclosed
US-20150148292-A1 BONE MORPHOGENETIC PROTEIN PATHWAY ACTIVATION, COMPOSITIONS FOR OSSIFICATION, AND METHODS RELATED THERETO UNIV EMORY (US) 2015-05-28 — — US disclosed
WO-2014011540-A1 BONE MORPHOGENETIC PROTEIN PATHWAY ACTIVATION, COMPOSITIONS FOR OSSIFICATION, AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2014-01-16 — — WO disclosed
WO-2014011540-A1 BONE MORPHOGENETIC PROTEIN PATHWAY ACTIVATION, COMPOSITIONS FOR OSSIFICATION, AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2014-01-16 — — 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-20150148292-A1 BONE MORPHOGENETIC PROTEIN PATHWAY ACTIVATION, COMPOSITIONS FOR OSSIFICATION, AND METHODS RELATED THERETO BMP4, BMP2, BMP1 NSD2 3971/4885PABPC1 1723/4885CASP6 755/4885
US-10434220-B2 Bone morphogenetic protein pathway activation, compositions for ossification, and methods related thereto BMP2, BMP4, BMP1 NSD2 4395/4885PABPC1 2474/4885CASP6 1947/4885
US-10933169-B2 Bone morphogenetic protein pathway activation, compositions for ossification, and methods related thereto BMP2, BMP4, BMP1 NSD2 4395/4885PABPC1 2474/4885CASP6 1947/4885
US-20160089478-A1 BONE MORPHOGENETIC PROTEIN PATHWAY ACTIVATION, COMPOSITIONS FOR OSSIFICATION, AND METHODS RELATED THERETO BMP2, BMP4, BMP1 NSD2 4395/4885PABPC1 2474/4885CASP6 1947/4885

“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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