SCHEMBL5648124

SCHEMBL5648124

O=C(NCCCN1CCOCC1)c1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
FLT3 P36888 4/20 0.50
CD274 Q9NZQ7 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
EPHX2 P34913 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
FGFR1 P11362 1/20 0.46
FGFR2 P21802 1/20 0.46
FGFR3 P22607 1/20 0.46
KDR P35968 1/20 0.46
CDK4 P11802 1/20 0.46
CCNA2 P20248 1/20 0.46
CCND1 P24385 1/20 0.46
CDK2 P24941 1/20 0.46
CCND3 P30281 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
SCHEMBL5648132 0.94 TSHR (0.52) TSHRFLT3CD274SMN1; SMN2POLB
SCHEMBL5650213 0.91 FLT3 (0.53) TSHRFLT3CD274SMN1; SMN2POLB
SCHEMBL5649698 0.91 FLT3 (0.50) TSHRFLT3CD274SMN1; SMN2POLB
SCHEMBL5653799 0.88 CD274 (0.59) TSHRFLT3CD274SMN1; SMN2POLB
SCHEMBL5650887 0.88 CYP2D6 (0.58) TSHRFLT3CD274SMN1; SMN2POLB
SCHEMBL5649119 0.87 TSHR (0.51) TSHRFLT3CD274SMN1; SMN2POLB
SCHEMBL5652713 0.86 FGFR1 (0.57) TSHRFLT3SMN1; SMN2FGFR1FGFR2
SCHEMBL5653274 0.85 TSHR (0.52) TSHRSMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL5650223 0.85 CD274 (0.50) TSHRFLT3CD274SMN1; SMN2POLB
SCHEMBL5651252 0.84 MET (0.49) TSHRSMN1; SMN2CYP2D6CYP2C9MET

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 TSHR 161/4885FLT3 1968/4885CD274 4868/4885

“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.