SCHEMBL5653471

SCHEMBL5653471

O=C(NCc1cccnc1)c1ccc(-c2nc3ncccc3[nH]2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
MMP13 P45452 1/20 0.45
POLB P06746 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
SLC40A1 Q9NP59 1/20 0.43
USP2 O75604 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
TSHR P16473 3/20 0.42

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
SCHEMBL5648735 0.79 NPSR1 (0.43) HTTMMP13POLBALDH1A1KDM4E
SCHEMBL5651267 0.79 SORT1 (0.52) HTTALDH1A1NPSR1SLC40A1LMNA
SCHEMBL5648741 0.79 NPSR1 (0.43) HTTMMP13POLBALDH1A1KDM4E
SCHEMBL5651274 0.79 SORT1 (0.52) HTTMMP13ALDH1A1KDM4ENPSR1
SCHEMBL5653423 0.79 TSHR (0.44) HTTMMP13POLBALDH1A1KDM4E
SCHEMBL4919514 0.76 ESRRG (0.58) HTTMMP13NPSR1USP2HDAC3
SCHEMBL5653421 0.75 TSHR (0.44) HTTMMP13POLBALDH1A1KDM4E
SCHEMBL5653466 0.74 HTT (0.43) HTTMMP13POLBALDH1A1KDM4E
SCHEMBL5654880 0.73 AURKA (0.45) HTTHDAC3HDAC4HDAC1HDAC7
SCHEMBL5003809 0.73 AKT3 (0.71)

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 HTT 4354/4885MMP13 1004/4885POLB 2161/4885

“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.