SCHEMBL5653276

SCHEMBL5653276

Cc1cccc2[nH]c(-c3ccc(C(=O)NCCCN4CCOCC4)cc3Br)nc12

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
MAPK14 Q16539 1/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2D6 P10635 1/20 0.49
POLB P06746 1/20 0.48
SMYD2 Q9NRG4 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
NPBWR1 P48145 1/20 0.47
MCHR1 Q99705 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 2/20 0.46
RAD52 P43351 1/20 0.46
LMNA P02545 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) TSHRMAPK14CYP2C9CYP2D6POLB
SCHEMBL5648391 0.90 ALDH1A1 (0.50) TSHRMAPK14CYP2C9CYP2D6POLB
SCHEMBL5650928 0.89 CYP2C9 (0.61) TSHRMAPK14CYP2C9CYP2D6POLB
SCHEMBL5652335 0.88 TSHR (0.55) TSHRMAPK14CYP2C9CYP2D6POLB
SCHEMBL5649561 0.87 TSHR (0.52) TSHRMAPK14CYP2C9CYP2D6POLB
SCHEMBL5653282 0.87 TSHR (0.51) TSHRMAPK14CYP2C9CYP2D6POLB
SCHEMBL5648974 0.86 KDM4E (0.53) TSHRMAPK14POLBKMT2AMEN1
SCHEMBL5654052 0.86 POLB (0.51) TSHRMAPK14CYP2C9CYP2D6POLB
SCHEMBL5652221 0.84 TNKS2 (0.49) TSHRMAPK14CYP2C9CYP2D6POLB
SCHEMBL5652228 0.84 TNKS2 (0.49) TSHRMAPK14CYP2C9CYP2D6POLB

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 TSHR 161/4885MAPK14 1445/4885CYP2C9 3314/4885

“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.