SCHEMBL5654024

SCHEMBL5654024

O=C(NCCCN1CCOCC1)c1ccc(-c2nc3cc4ccccc4cc3[nH]2)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 1/20 0.49
MET P08581 1/20 0.48
FGFR1 P11362 1/20 0.48
FGFR2 P21802 1/20 0.48
FGFR3 P22607 1/20 0.48
KDR P35968 1/20 0.48
BCL3 P20749 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47
PTPN11 Q06124 1/20 0.47

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
SCHEMBL5654035 0.90 CYP2D6 (0.53) CYP2D6CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL5652745 0.90 MET (0.52) CYP2D6ALDH1A1SMN1; SMN2METCYP2C9
SCHEMBL5653202 0.89 MET (0.51) CYP2D6ALDH1A1SMN1; SMN2METCYP2C9
SCHEMBL5653211 0.89 MET (0.51) CYP2D6ALDH1A1SMN1; SMN2METCYP2C9
SCHEMBL5651317 0.88 CYP2D6 (0.61) CYP2D6CYP1A2CYP2C19ALDH1A1FGFR1
SCHEMBL5652001 0.88 KDM4E (0.58) CYP2D6CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL5651944 0.87 MEN1 (0.55) CYP2D6CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL5652697 0.87 MET (0.51) CYP2D6ALDH1A1SMN1; SMN2METFGFR1
SCHEMBL5651930 0.87 FGFR1 (0.58) CYP2D6CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL5652701 0.87 MET (0.51) CYP2D6ALDH1A1METCYP2C9POLB

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 CYP2D6 3252/4885CYP1A2 1707/4885CYP2C19 3897/4885

“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.