SCHEMBL5653799

SCHEMBL5653799

O=C(NCCCN1CCOCC1)c1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 2/20 0.59
DGAT1 O75907 3/20 0.54
KCNH2 Q12809 3/20 0.54
SOAT1 P35610 2/20 0.54
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
POLB P06746 2/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPK1 P28482 1/20 0.53
DUSP3 P51452 1/20 0.53
PTPN5 P54829 1/20 0.53
PTPN11 Q06124 1/20 0.53
FLT3 P36888 1/20 0.52
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
EPHX2 P34913 1/20 0.51

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
SCHEMBL5653810 0.93 CD274 (0.59) CD274HDAC3HDAC1HDAC2HDAC8
SCHEMBL5650213 0.89 FLT3 (0.53) CD274POLBKDM4EALDH1A1FLT3
SCHEMBL5648124 0.88 TSHR (0.52) CD274HDAC3HDAC1HDAC2HDAC8
SCHEMBL5649698 0.88 FLT3 (0.50) CD274POLBFLT3TSHRSMN1; SMN2
SCHEMBL5651231 0.86 CD274 (0.55) CD274POLBKDM4EALDH1A1TSHR
SCHEMBL5650887 0.86 CYP2D6 (0.58) CD274POLBALDH1A1FLT3TSHR
SCHEMBL5652001 0.85 KDM4E (0.58) CD274HDAC3HDAC1HDAC2HDAC8
SCHEMBL5653653 0.85 FGFR1 (0.58) CD274HDAC3HDAC1HDAC2HDAC8
SCHEMBL5649119 0.85 TSHR (0.51) CD274POLBKDM4EALDH1A1FLT3
SCHEMBL5651069 0.85 MEN1 (0.51) CD274DGAT1KCNH2SOAT1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220769-B2 Azolylbenzamides and analogues and their use for treating osteoporosis NIKEM RESEARCH S.R.L. (IT) 2007-05-22 US disclosed
US-20050038095-A1 Azolylbenzamides and analogues and their use for treating osteoporosis 3-V BIOSCIENCES, INC. 2005-02-17 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 (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-20050038095-A1 Azolylbenzamides and analogues and their use for treating osteoporosis NR0B2, NR0B1, NCOR1 CD274 4868/4885DGAT1 2386/4885KCNH2 3319/4885

“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.