SCHEMBL5653003

SCHEMBL5653003

Cc1c(Br)cc2[nH]c(-c3ccc(C(=O)NCCCN4CCOCC4)cc3)nc2c1C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
MAPK14 Q16539 1/20 0.51
DHODH Q02127 1/20 0.49
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

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 0.90 TSHR (0.55) TSHRMAPK14CYP2D6CYP2C9ALDH1A1
SCHEMBL5650178 0.89 TSHR (0.54) TSHRMAPK14CYP2D6CYP2C9ALDH1A1
SCHEMBL5651790 0.88 TSHR (0.52) TSHRMAPK14CYP2D6CYP2C9ALDH1A1
SCHEMBL5651713 0.86 CYP2D6 (0.59) TSHRMAPK14CYP2D6CYP2C9ALDH1A1
SCHEMBL5652999 0.86 TSHR (0.56) TSHRMAPK14HPGDSCYP2D6CYP2C9
SCHEMBL5651162 0.85 TSHR (0.51) TSHRMAPK14CYP2D6CYP2C9ALDH1A1
SCHEMBL5649582 0.84 MEN1 (0.55) TSHRCYP2D6ALDH1A1SMN1; SMN2KDM4E
SCHEMBL5648974 0.83 KDM4E (0.53) TSHRMAPK14HPGDSALDH1A1SMN1; SMN2
SCHEMBL5651895 0.82 MAPK8 (0.45) DHODH
SCHEMBL5651511 0.80 KDM4E (0.54) TSHRHPGDSALDH1A1SMN1; SMN2KDM4E

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 1445/4885DHODH 2910/4885

“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.