SCHEMBL5650178

SCHEMBL5650178

Cc1cc(C(=O)NCCCN2CCOCC2)ccc1-c1nc2c(C)c(C)c(Br)cc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
POLB P06746 1/20 0.50
MAPK14 Q16539 1/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2D6 P10635 1/20 0.49
LMNA P02545 1/20 0.46
KMT2A Q03164 3/20 0.45
TNKS2 Q9H2K2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45

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
SCHEMBL5652335 0.94 TSHR (0.55) TSHRPOLBMAPK14CYP2C9CYP2D6
SCHEMBL5651790 0.92 TSHR (0.52) TSHRPOLBMAPK14CYP2C9CYP2D6
SCHEMBL5651713 0.91 CYP2D6 (0.59) TSHRMAPK14CYP2C9CYP2D6LMNA
SCHEMBL5651162 0.89 TSHR (0.51) TSHRMAPK14CYP2C9CYP2D6KMT2A
SCHEMBL5653003 0.89 TSHR (0.56) TSHRMAPK14CYP2C9CYP2D6LMNA
SCHEMBL5650167 0.87 TSHR (0.54) TSHRPOLBMAPK14CYP2C9CYP2D6
SCHEMBL5653340 0.86 POLB (0.52) TSHRPOLBMAPK14CYP2C9CYP2D6
SCHEMBL5654052 0.84 POLB (0.51) TSHRPOLBMAPK14CYP2C9CYP2D6
SCHEMBL5653276 0.84 TSHR (0.51) TSHRPOLBMAPK14CYP2C9CYP2D6
SCHEMBL5652617 0.83 FLT3 (0.45) EGLN1

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 161/4885POLB 2161/4885MAPK14 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.