SCHEMBL2580693

SCHEMBL2580693

CCc1ccc(Cn2cc(Br)c3ccccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.51
MET P08581 1/20 0.51
PARP1 P09874 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
MAPK1 P28482 1/20 0.46
POLB P06746 1/20 0.46
CHRNB2 P17787 3/20 0.46
CHRNA7 P36544 3/20 0.46
CHRNA4 P43681 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL28018754 0.86 KMT2A (0.58) L3MBTL1MAPK1POLBCHRNB2CHRNA7
SCHEMBL154080 0.81 MAPK10 (0.43) EGFRMETPARP1HDAC1HDAC2
SCHEMBL28818987 0.79 NR4A2 (0.50) POLBSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL22359770 0.76 HTT (0.46) EGFRL3MBTL1HDAC1HDAC2HDAC8
SCHEMBL23674627 0.74 LMNA (0.64) L3MBTL1SMN1; SMN2ALDH1A1MEN1TSHR
SCHEMBL28018204 0.74 MEN1 (0.49) POLBCHRNB2CHRNA7CHRNA4SMN1; SMN2
SCHEMBL30100786 0.74 LMNA (0.64) L3MBTL1SMN1; SMN2ALDH1A1MEN1TSHR
SCHEMBL12706043 0.73 CHRNB2 (0.68) L3MBTL1HDAC1HDAC8HDAC6MAPK1
SCHEMBL170600 0.73 MAPK10 (0.39) PARP1HDAC1HDAC2HDAC8HDAC6
SCHEMBL29750434 0.72 CYP19A1 (0.70) HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048897-B2 Cyclohexane derivative, prodrug thereof and salt thereof, and therapeutic agent containing the same for diabetes CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-11-01 US disclosed
CN-101010276-B Cyclohexane derivative, prodrug thereof, salt thereof, and therapeutic agent for diabetes containing same CHUGAI PHARMACEUTICAL CO LTD 2011-01-12 CN disclosed
US-20080318874-A1 Novel Cyclohexane Derivative, Prodrug Thereof and Salt Thereof, and Therapeutic Agent Containing the Same for Diabetes CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-12-25 US disclosed
CN-101010276-A Novel cyclohexane derivative, prodrug thereof, salt thereof, and therapeutic agent for diabetes containing the same CHUGAI PHARMACEUTICAL CO LTD (JP) 2007-08-01 CN disclosed
EP-1783110-A1 NOVEL CYCLOHEXANE DERIVATIVE, PRODRUG THEREOF AND SALT THEREOF, AND THERAPEUTIC AGENT CONTAINING THE SAME FOR DIABETES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-05-09 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-20080318874-A1 Novel Cyclohexane Derivative, Prodrug Thereof and Salt Thereof, and Therapeutic Agent Containing the Same for Diabetes SLC5A1, GPR119, SLC5A2 EGFR 3331/4885MET 1489/4885PARP1 2188/4885

“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.