SCHEMBL5653466

SCHEMBL5653466

O=C(NCc1cccnc1)C1=CC(c2nc3ncccc3[nH]2)=CCC1=S

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.43
MMP13 P45452 1/20 0.41
POLB P06746 1/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
WNT1 P04628 1/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38
HPSE Q9Y251 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL5653471 0.74 HTT (0.47) HTTMMP13POLBLMNAMAPK1
SCHEMBL30731252 0.64 HDAC1 (0.59) HTTMMP13POLBLMNANPSR1
SCHEMBL9269786 0.63 KDM4E (0.64) HTTPOLBALDH1A1KDM4EHPGD
SCHEMBL29800992 0.62 HTT (1.00) HTTMMP13POLBLMNANPSR1
SCHEMBL5407524 0.62 MAOB (0.65) HTTLMNAMAPK1NPSR1ALDH1A1
SCHEMBL1647859 0.61 NAMPT (0.71)
SCHEMBL7082686 0.61 TSHR (0.73) HTTMMP13LMNAMAPK1NPSR1
SCHEMBL7535584 0.61 USP2 (0.68) HTTMMP13POLBLMNANPSR1
SCHEMBL14480144 0.61 NAMPT (0.59) HTTMMP13LMNANPSR1ALDH1A1
SCHEMBL16598258 0.60 HTT (0.76) HTTMMP13POLBNPSR1ALDH1A1

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.