SCHEMBL5651790

SCHEMBL5651790

Cc1c(Br)cc2[nH]c(-c3ccc(C(=O)NCCCN4CCOCC4)cc3F)nc2c1C

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
CYP2C9 P11712 2/20 0.47
CYP2D6 P10635 1/20 0.47
MAPK14 Q16539 1/20 0.46
CDK1 P06493 2/20 0.45
CCNB1 P14635 2/20 0.45
CCNA2 P20248 2/20 0.45
CDK2 P24941 2/20 0.45
LMNA P02545 1/20 0.44
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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 0.93 TSHR (0.55) TSHRCYP2C9CYP2D6MAPK14LMNA
SCHEMBL5650178 0.92 TSHR (0.54) TSHRCYP2C9CYP2D6MAPK14LMNA
SCHEMBL5651713 0.89 CYP2D6 (0.59) TSHRCYP2C9CYP2D6MAPK14CCNA2
SCHEMBL5651162 0.88 TSHR (0.51) TSHRCYP2C9CYP2D6MAPK14ALDH1A1
SCHEMBL5653003 0.88 TSHR (0.56) TSHRCYP2C9CYP2D6MAPK14LMNA
SCHEMBL5651785 0.87 TSHR (0.52) TSHRCYP2C9CYP2D6MAPK14CDK1
SCHEMBL5648391 0.85 ALDH1A1 (0.50) TSHRCYP2C9CYP2D6MAPK14CDK1
SCHEMBL5651519 0.85 FLT3 (0.45)
SCHEMBL5650897 0.81 CD274 (0.46) TSHRCYP2C9CYP2D6LMNAPOLB
SCHEMBL5652799 0.81 GAA (0.41) TSHRALDH1A1KMT2A

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 161/4885CYP2C9 3314/4885CYP2D6 3252/4885

“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.