SCHEMBL5652502

SCHEMBL5652502

COc1cc(C(=O)NCCCN2CCOCC2)ccc1-c1nc2cccc(O)c2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.61
CYP2D6 P10635 1/20 0.61
CDK4 P11802 1/20 0.51
CCNA2 P20248 1/20 0.51
CCND1 P24385 1/20 0.51
CDK2 P24941 1/20 0.51
CCND3 P30281 1/20 0.51
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 2/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPT P10636 2/20 0.48
RAD52 P43351 1/20 0.47
ATM Q13315 1/20 0.47
MAPK10 P53779 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
SCHEMBL5649763 0.92 TSHR (0.52) CYP2C9CYP2D6KMT2AMEN1HPGD
SCHEMBL5650938 0.92 CYP2C9 (0.61) CYP2C9CYP2D6CDK4CCNA2CCND1
SCHEMBL5654047 0.90 MAPK14 (0.51) CYP2C9CYP2D6KMT2ATSHRALDH1A1
SCHEMBL5652531 0.87 CYP2C9 (0.61) CYP2C9CYP2D6CDK4CCNA2CCND1
SCHEMBL5651317 0.85 CYP2D6 (0.61) CYP2C9CYP2D6CDK4CCNA2CCND1
SCHEMBL5649571 0.84 TSHR (0.54) CYP2C9CYP2D6TSHRLMNAALDH1A1
SCHEMBL5651707 0.84 CYP2D6 (0.59) CYP2C9CYP2D6CDK4CCNA2CCND1
SCHEMBL5651498 0.84 KDM4E (0.54) HPGDTSHRALDH1A1SMN1; SMN2
SCHEMBL5651321 0.84 FLT3 (0.46) TSHRMAPK10
SCHEMBL5651436 0.83 CYP2C9 (0.61) CYP2C9CYP2D6CDK4CCNA2CCND1

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 CYP2C9 3314/4885CYP2D6 3252/4885CDK4 3046/4885

“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.