SCHEMBL4440433

SCHEMBL4440433

Cc1cc(Cl)ccc1Sc1ccc(C#N)cc1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.60
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
CYP3A4 P08684 3/20 0.42
CYP2D6 P10635 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 2/20 0.38
KCNH2 Q12809 1/20 0.38
IDO1 P14902 1/20 0.37
EGLN2 Q96KS0 2/20 0.37
SLC6A2 P23975 1/20 0.37
HPGD P15428 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 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
SCHEMBL27794941 0.85 AR (0.50) ARMAOAMAOBMEN1KMT2A
SCHEMBL9476344 0.83 CYP3A4 (0.48) ARMEN1KMT2ACYP3A4CYP2D6
SCHEMBL7635636 0.79 AR (0.64) ARMAOAMAOBMEN1KMT2A
SCHEMBL4031416 0.76 KMT2A (0.49) ARMEN1KMT2ACYP3A4CYP2D6
SCHEMBL15358082 0.75 AR (0.44) ARMEN1KMT2ACYP3A4CYP2D6
SCHEMBL14446524 0.74 IDO1 (0.59) ARMEN1KMT2ACYP3A4CYP2D6
SCHEMBL4437757 0.72 AR (0.42) ARMAOAMAOBMEN1KMT2A
SCHEMBL410305 0.71 AR (0.54) ARMAOAMAOBSLC6A4SLC6A3
SCHEMBL3930893 0.71 MEN1 (0.61) ARMAOAMAOBMEN1KMT2A
SCHEMBL3930889 0.71 AR (0.58) ARMAOAMAOBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061754-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-05-27 EP disclosed
WO-2008115999-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 WO disclosed
US-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 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-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS FECH, SLC10A1, SLC40A1 AR 2913/4885MAOA 360/4885MAOB 218/4885

“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.