SCHEMBL5653271

SCHEMBL5653271

COc1cc(C(=O)NCCCN2CCOCC2)ccc1-c1nc2ncccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
HPGD P15428 2/20 0.49
CDK4 P11802 1/20 0.49
CCNA2 P20248 1/20 0.49
CCND1 P24385 1/20 0.49
CDK2 P24941 1/20 0.49
CCND3 P30281 1/20 0.49
TSHR P16473 1/20 0.49
RAD52 P43351 1/20 0.49
ATM Q13315 1/20 0.49
LMNA P02545 2/20 0.49
PDE2A O00408 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.47
PDE5A O76074 1/20 0.47
CYP1A2 P05177 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
SCHEMBL5649082 0.93 CYP2D6 (0.53) CYP2D6CYP2C9KMT2AMEN1TSHR
SCHEMBL5647370 0.90 POLB (0.51) CYP2D6CYP2C9KMT2AMEN1TSHR
SCHEMBL5651583 0.88 SMN1; SMN2 (0.50) CYP2D6CYP2C9CCNA2CDK2TSHR
SCHEMBL5652531 0.87 CYP2C9 (0.61) CYP2D6CYP2C9KMT2AMEN1HPGD
SCHEMBL5650928 0.87 CYP2C9 (0.61) CYP2D6CYP2C9KMT2AMEN1HPGD
SCHEMBL5651317 0.85 CYP2D6 (0.61) CYP2D6CYP2C9KMT2AMEN1HPGD
SCHEMBL5652239 0.83 CYP2D6 (0.61) CYP2D6CYP2C9KMT2AMEN1HPGD
SCHEMBL5651417 0.83 CYP2C9 (0.61) CYP2D6CYP2C9KMT2AMEN1HPGD
SCHEMBL5651436 0.83 CYP2C9 (0.61) CYP2D6CYP2C9KMT2AMEN1HPGD
SCHEMBL5651713 0.81 CYP2D6 (0.59) CYP2D6CYP2C9KMT2AMEN1HPGD

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 3252/4885CYP2C9 3314/4885KMT2A 439/4885

“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.