SCHEMBL5654052

SCHEMBL5654052

Cc1cc(C(=O)NCCCN2CCOCC2)ccc1-c1nc2c(O)cccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
CYP2C9 P11712 2/20 0.49
MAPK14 Q16539 1/20 0.49
CYP2D6 P10635 1/20 0.49
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 1/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.46
RAD52 P43351 1/20 0.46
KMT2A Q03164 1/20 0.46
SMYD2 Q9NRG4 1/20 0.46
TNKS2 Q9H2K2 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
SCHEMBL5653340 0.93 POLB (0.52) POLBCYP2C9MAPK14CYP2D6KDM4E
SCHEMBL5652531 0.90 CYP2C9 (0.61) CYP2C9CYP2D6KDM4EALDH1A1SMN1; SMN2
SCHEMBL5649790 0.88 CYP2D6 (0.52) CYP2C9CYP2D6KDM4EALDH1A1TSHR
SCHEMBL5647370 0.87 POLB (0.51) POLBCYP2C9MAPK14CYP2D6KDM4E
SCHEMBL5654047 0.87 MAPK14 (0.51) POLBCYP2C9MAPK14CYP2D6KDM4E
SCHEMBL5651511 0.86 KDM4E (0.54) POLBKDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL5653276 0.86 TSHR (0.51) POLBCYP2C9MAPK14CYP2D6KDM4E
SCHEMBL5648391 0.86 ALDH1A1 (0.50) POLBCYP2C9MAPK14CYP2D6KDM4E
SCHEMBL5650928 0.85 CYP2C9 (0.61) POLBCYP2C9MAPK14CYP2D6ALDH1A1
SCHEMBL5650178 0.84 TSHR (0.54) POLBCYP2C9MAPK14CYP2D6ALDH1A1

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 POLB 2161/4885CYP2C9 3314/4885MAPK14 1445/4885

“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.