SCHEMBL959935

SCHEMBL959935

Clc1ccc(CNc2cccc(Br)n2)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
HPGD P15428 3/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 2/20 0.48
GPR39 O43194 1/20 0.47
CD38 P28907 1/20 0.42
CCR4 P51679 3/20 0.42
KCNH2 Q12809 1/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
TSHR P16473 1/20 0.40
PKM P14618 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
GFER P55789 1/20 0.39

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
SCHEMBL6089226 0.83 POLB (0.50) NPSR1MEN1KMT2AHPGDLMNA
SCHEMBL1666510 0.78 KDM4E (0.57) MEN1KMT2AHPGDLMNAPOLB
SCHEMBL29580189 0.76 POLB (0.69) SLC2A1NPSR1MEN1KMT2AHPGD
SCHEMBL960125 0.72 PTGDR (0.57) NPSR1MEN1KMT2AHPGDLMNA
SCHEMBL11512272 0.71 MAPT (0.56) NPSR1MEN1KMT2ALMNAGAA
SCHEMBL2041332 0.71 NPSR1 (0.68) NPSR1MEN1KMT2AHPGDLMNA
SCHEMBL26971122 0.71 CCR4 (0.46) MEN1KMT2ALMNACCR4PKM
SCHEMBL31478745 0.69 MAPT (0.60) MEN1KMT2ALMNAMAPTTSHR
SCHEMBL31240581 0.69 FABP1 (0.55) MEN1KMT2AHPGDLMNAPOLB
SCHEMBL7531482 0.69 NPSR1 (0.46) NPSR1MEN1KMT2AHPGDLMNA

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-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
EP-2253618-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP 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-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING GPR4, NR3C2, NR5A2 SLC2A1 1702/4885NPSR1 122/4885MEN1 4161/4885

“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.