SCHEMBL5651065

SCHEMBL5651065

O=C(NCCCN1CCOCC1)C1=CC(c2nc3ccc(C(F)(F)F)cc3[nH]2)=CCC1=S

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
DUSP3 P51452 1/20 0.43
PTPN5 P54829 1/20 0.43
PTPN11 Q06124 1/20 0.43
BACE1 P56817 1/20 0.42
BACE2 Q9Y5Z0 1/20 0.42
FLT3 P36888 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
DGAT1 O75907 1/20 0.41
SOAT1 P35610 1/20 0.41
KCNH2 Q12809 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
KLK7 P49862 1/20 0.40
GPR52 Q9Y2T5 1/20 0.40
SCN9A Q15858 1/20 0.40

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
SCHEMBL5651255 0.84 ALDH1A1 (0.41) POLBALDH1A1KDM4EMAPK1DUSP3
SCHEMBL5652804 0.82 SMYD2 (0.42) POLBSMN1; SMN2ALDH1A1KDM4EMAPK1
SCHEMBL5648361 0.82 FLT3 (0.43) POLBMAPK1FLT3DGAT1SOAT1
SCHEMBL5653799 0.81 CD274 (0.59) POLBSMN1; SMN2ALDH1A1KDM4EMAPK1
SCHEMBL5651069 0.79 MEN1 (0.51) POLBSMN1; SMN2ALDH1A1KDM4EBACE1
SCHEMBL5650213 0.78 FLT3 (0.53) POLBSMN1; SMN2ALDH1A1KDM4EFLT3
SCHEMBL5649572 0.78 TSHR (0.51) POLBSMN1; SMN2ALDH1A1MAPK1LMNA
SCHEMBL5648124 0.78 TSHR (0.52) POLBSMN1; SMN2ALDH1A1KDM4EFLT3
SCHEMBL5649698 0.78 FLT3 (0.50) POLBSMN1; SMN2FLT3CD274EPHX2
SCHEMBL5649119 0.76 TSHR (0.51) POLBSMN1; SMN2ALDH1A1KDM4EFLT3

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 POLB 2161/4885SMN1; SMN2 1510/4885ALDH1A1 2893/4885

“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.