SCHEMBL5651231

SCHEMBL5651231

O=C(NCCCN1CCOCC1)c1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 2/20 0.55
TSHR P16473 1/20 0.48
EPHX2 P34913 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46

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
SCHEMBL5650897 0.89 CD274 (0.46) CD274TSHREPHX2SMN1; SMN2POLB
SCHEMBL5651235 0.87 CD274 (0.55) CD274TSHREPHX2SMN1; SMN2POLB
SCHEMBL5653799 0.86 CD274 (0.59) CD274TSHREPHX2SMN1; SMN2POLB
SCHEMBL5653810 0.85 CD274 (0.59) CD274TSHREPHX2SMN1; SMN2POLB
SCHEMBL5652819 0.83 FLT3 (0.54) KDM4EALDH1A1
SCHEMBL5650316 0.82 HDAC3 (0.54) CD274TSHRSMN1; SMN2POLBKDM4E
SCHEMBL5648739 0.81 HDAC3 (0.51) CD274TSHRSMN1; SMN2POLBKDM4E
SCHEMBL5648730 0.81 HDAC3 (0.51) CD274TSHRSMN1; SMN2POLBKDM4E
SCHEMBL5647974 0.80 HDAC6 (0.50) TSHRSMN1; SMN2POLBKDM4E
SCHEMBL5650430 0.79 MAPK14 (0.53) TSHRSMN1; SMN2POLBKDM4EALDH1A1

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 4868/4885TSHR 161/4885EPHX2 3842/4885

“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.