SCHEMBL5649944

SCHEMBL5649944

CC1(C)CC(NC(=O)c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c(Br)c2)CC(C)(C)N1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
EZH2 Q15910 10/20 0.43
CYP2C9 P11712 1/20 0.43
POLB P06746 1/20 0.41
PKM P14618 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL5649937 0.93 GLA (0.45) GLAKDM4EALDH1A1TP53GAA
SCHEMBL5651966 0.90 L3MBTL1 (0.47) GLAL3MBTL1MEN1KMT2AEZH2
SCHEMBL5647641 0.90 GLA (0.53) GLAHSD17B10L3MBTL1MEN1KMT2A
SCHEMBL5652270 0.87 EZH2 (0.47) GLAL3MBTL1MEN1KMT2AEZH2
SCHEMBL5652809 0.84 MEN1 (0.53) GLAKDM4EALDH1A1TP53GAA
SCHEMBL5649008 0.84 EZH2 (0.49) GLAKDM4EALDH1A1TP53GAA
SCHEMBL5651959 0.83 L3MBTL1 (0.47) GLAL3MBTL1MEN1KMT2AEZH2
SCHEMBL5647629 0.83 GLA (0.53) GLAL3MBTL1MEN1KMT2AEZH2
SCHEMBL5651442 0.83 MEN1 (0.50) GLAKDM4EALDH1A1TP53GAA
SCHEMBL5651434 0.83 MEN1 (0.50) GLAKDM4EALDH1A1TP53GAA

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 GLA 1633/4885KDM4E 1605/4885ALDH1A1 2893/4885

“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.