SCHEMBL4900929

SCHEMBL4900929

O=C(Nc1ccc(-n2cnc(CNC(=O)c3ccc(Cl)s3)c2)cc1)OCCCl

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
F10 P00742 8/20 0.38
TSHR P16473 1/20 0.38
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGS2 P35354 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL8225099 0.84 HPGD (0.47) HPGDF10TSHR
SCHEMBL8232859 0.83 HPGD (0.47) HPGDF10TSHR
SCHEMBL8230688 0.83 HPGD (0.47) HPGDF10TSHR
SCHEMBL8230480 0.81 HPGD (0.45) HPGDF10TSHR
SCHEMBL3087908 0.81 HPGD (0.53) HPGDF10TSHR
SCHEMBL1708736 0.80 HPGD (0.52) HPGDF10TSHRMEN1KMT2A
SCHEMBL3089664 0.80 HPGD (0.52) HPGDF10TSHR
SCHEMBL8277767 0.77 HPGD (0.49) HPGDF10TSHR
SCHEMBL1106605 0.77 HPGD (0.49) HPGDF10TSHRMEN1KMT2A
SCHEMBL4908803 0.77 HPGD (0.48) HPGDF10TSHRPOLBMAPT

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 2414/4885TSHR 1354/4885

“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.