SCHEMBL4914554

SCHEMBL4914554

Cc1cc(-n2cnc(CNC(=O)c3ccc(Cl)s3)c2)ccc1NC(=O)CCCCCl

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
F10 P00742 12/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL4909345 0.81 HPGD (0.47) HPGDF10MEN1NPC1RAB9A
SCHEMBL4911468 0.78 HPGD (0.43) HPGDF10MEN1NPC1RAB9A
SCHEMBL3087908 0.75 HPGD (0.53) HPGDF10HDAC3HDAC4HDAC1
SCHEMBL1708736 0.75 HPGD (0.52) HPGDF10MEN1NPC1RAB9A
SCHEMBL3089664 0.75 HPGD (0.52) HPGDF10TSHR
SCHEMBL8225099 0.74 HPGD (0.47) HPGDF10TSHR
SCHEMBL1277524 0.74 HPGD (0.47) HPGDF10TSHR
SCHEMBL4901722 0.73 F10 (0.53) F10
SCHEMBL1277305 0.73 F10 (0.47) HPGDF10
SCHEMBL4900929 0.73 HPGD (0.43) HPGDF10MEN1KMT2ATSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051578-A1 SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS DAHMANN GEORG 2008-02-28 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-20080051578-A1 SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS CYP11B2, CYP3A43, CYP11B1 HPGD 4194/4885F10 2414/4885HDAC3 3322/4885

“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.