SCHEMBL5648587

SCHEMBL5648587

CN1C(C)(C)CC(NC(=O)c2ccc(-c3nc4cc(Cl)ccc4[nH]3)cc2)CC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
PRSS12 P56730 6/20 0.45
CHEK2 O96017 7/20 0.44
RHEB Q15382 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DHODH Q02127 1/20 0.41
GAA P10253 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40

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
SCHEMBL5648598 0.92 CHEK2 (0.52) HDAC4HDAC6PRSS12CHEK2MEN1
SCHEMBL5654931 0.89 RHEB (0.56) HDAC4HDAC6PRSS12RHEB
SCHEMBL5651002 0.77 PRSS12 (0.47) HDAC4HDAC6PRSS12RHEBMEN1
SCHEMBL5653127 0.77 RHEB (0.58) PRSS12RHEBMEN1KMT2A
SCHEMBL15245184 0.77 CHEK2 (0.64) PRSS12CHEK2RHEBMEN1KMT2A
SCHEMBL21018126 0.76 HDAC6 (0.51) HDAC4HDAC6PRSS12CHEK2DHODH
SCHEMBL6439063 0.75 HDAC6 (0.49) HDAC4HDAC6PRSS12CHEK2MEN1
SCHEMBL5648784 0.75 ATM (0.54) PRSS12CHEK2MEN1KMT2A
SCHEMBL5652270 0.75 EZH2 (0.47) HDAC4HDAC6CHEK2MEN1KMT2A
SCHEMBL5654929 0.75 MEN1 (0.61) PRSS12RHEBMEN1KMT2AHSD17B10

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 6 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-7220769-B2 Azolylbenzamides and analogues and their use for treating osteoporosis NIKEM RESEARCH S.R.L. (IT) 2007-05-22 US disclosed
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
EP-1187813-A1 AZOLYLBENZAMIDES AND ANALOGUES AND THEIR USE FOR TREATING OSTEOPOROSIS SMITHKLINE BEECHAM PLC (GB) 2002-03-20 EP disclosed
WO-2001000587-A1 AZOLYLBENZAMIDES AND ANALOGUES AND THEIR USE FOR TREATING OSTEOPOROSIS SMITHKLINE BEECHAM P.L.C. (GB) 2001-01-04 WO 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 HDAC4 249/4885HDAC6 537/4885PRSS12 979/4885

“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.