SCHEMBL12409059

SCHEMBL12409059

COCCOc1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.49
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA7 P36544 1/20 0.49
CHRNA4 P43681 1/20 0.49
LTA4H P09960 1/20 0.49
MAOB P27338 4/20 0.47
PPARA Q07869 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44

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
SCHEMBL14930472 0.94 KDM4E (0.46) NOS1KDM4EHTTKMT2ACHRNB2
SCHEMBL14930518 0.94 KDM4E (0.46) NOS1KDM4EHTTKMT2ACHRNB2
SCHEMBL14930443 0.91 ACACB (0.46) NOS1KDM4EHTTKMT2ACHRNB2
SCHEMBL14232317 0.84 KDM4E (0.47) KDM4EHTTKMT2ACHRNB2CHRNB4
SCHEMBL8339774 0.82 MAPT (0.52) KDM4ELTA4H
SCHEMBL1535647 0.82 KDM4E (0.54) KDM4EKMT2AALDH1A1
SCHEMBL12409185 0.82 CHRNB2 (0.54) NOS1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL12016106 0.82 CYP1A1 (0.60) NOS1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL15723550 0.82 SMN1; SMN2 (0.56) KDM4EHTTKMT2AALDH1A1
SCHEMBL4867973 0.82 MAOB (0.49) NOS1KMT2ACHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022224212-A1 GPR35 AGONIST COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2022-10-27 WO disclosed
CN-105073715-A Dihydropyridazine-3,5-dione derivative CHUGAI PHARMACEUTICAL CO LTD 2015-11-18 CN disclosed
US-8507539-B2 Potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2013-08-13 US disclosed
US-8507539-B2 Potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2013-08-13 US disclosed
US-20110166130-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2011-07-07 US disclosed
US-20110166130-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2011-07-07 US disclosed
WO-2009149508-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2009-12-17 WO 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-20110166130-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF KCNA3, KCNB1, KCNK3 NOS1 2311/4885KDM4E 653/4885HTT 1444/4885

“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.