SCHEMBL5652999

SCHEMBL5652999

Cc1c(Br)cc2nc(-c3ccc(C(=O)NCCCN4CCOCC4)cc3)[nH]c2c1C

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
MAPK14 Q16539 1/20 0.53
HPGDS O60760 1/20 0.49
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
GLA P06280 1/20 0.48
MAPK1 P28482 1/20 0.48
MEN1 O00255 1/20 0.47
RAD52 P43351 1/20 0.47
KMT2A Q03164 1/20 0.47
IKBKE Q14164 1/20 0.47
TBK1 Q9UHD2 1/20 0.47
CD274 Q9NZQ7 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
SCHEMBL5652326 0.90 TSHR (0.55) TSHRMAPK14CYP2D6CYP2C9ALDH1A1
SCHEMBL5650167 0.89 TSHR (0.54) TSHRMAPK14CYP2D6CYP2C9LMNA
SCHEMBL5651785 0.88 TSHR (0.52) TSHRMAPK14CYP2D6CYP2C9ALDH1A1
SCHEMBL5651707 0.86 CYP2D6 (0.59) TSHRMAPK14CYP2D6CYP2C9ALDH1A1
SCHEMBL5653003 0.86 TSHR (0.56) TSHRMAPK14HPGDSCYP2D6CYP2C9
SCHEMBL5651158 0.85 TSHR (0.53) TSHRMAPK14CYP2D6CYP2C9ALDH1A1
SCHEMBL5649575 0.84 MEN1 (0.55) TSHRCYP2D6ALDH1A1SMN1; SMN2KDM4E
SCHEMBL5648986 0.83 MAPK14 (0.55) TSHRMAPK14HPGDSALDH1A1SMN1; SMN2
SCHEMBL5651885 0.82 FLT3 (0.45) IKBKETBK1
SCHEMBL5651498 0.80 KDM4E (0.54) TSHRMAPK14HPGDSALDH1A1SMN1; SMN2

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 1445/4885HPGDS 1048/4885

“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.