SCHEMBL5651498

SCHEMBL5651498

O=C(NCCCN1CCOCC1)c1ccc(-c2nc3cccc(O)c3[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TSHR P16473 1/20 0.54
POLB P06746 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
CD274 Q9NZQ7 3/20 0.52
HPGD P15428 1/20 0.52
HPGDS O60760 2/20 0.50
JAK1 P23458 1/20 0.50
MAPK14 Q16539 1/20 0.49

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
SCHEMBL5648986 0.90 MAPK14 (0.55) KDM4EALDH1A1SMN1; SMN2TSHRPOLB
SCHEMBL5654047 0.86 MAPK14 (0.51) KDM4EALDH1A1SMN1; SMN2TSHRPOLB
SCHEMBL5651511 0.85 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2TSHRPOLB
SCHEMBL5652502 0.84 CYP2C9 (0.61) ALDH1A1SMN1; SMN2TSHRHPGD
SCHEMBL5652458 0.84 DRD3 (0.58) ALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL5649763 0.83 TSHR (0.52) KDM4EALDH1A1TSHRHPGDMAPK14
SCHEMBL5652001 0.82 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2TSHRPOLB
SCHEMBL5649669 0.81 MAPK8 (0.48) KDM4E
SCHEMBL5652999 0.80 TSHR (0.56) KDM4EALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL14930175 0.80 ERN1 (0.54) ALDH1A1CD274HPGDHPGDS

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 KDM4E 1605/4885ALDH1A1 2893/4885SMN1; SMN2 1510/4885

“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.