SCHEMBL3407569

SCHEMBL3407569

FC(F)(F)c1csc2cc(Br)ccc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.39
KDM1A O60341 2/20 0.37
CYP17A1 P05093 1/20 0.36
NT5E P21589 1/20 0.33
OPRM1 P35372 1/20 0.33
EPM2A O95278 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN22 Q9Y2R2 1/20 0.33
CA2 P00918 1/20 0.32
PTGES O14684 1/20 0.32
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
MIF P14174 1/20 0.30
SOS1 Q07889 1/20 0.30
AR P10275 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL13737283 0.85 CYP2A6 (0.50) CYP2A6KDM1ACYP17A1NT5EOPRM1
SCHEMBL18791161 0.78 LMNA (0.38) CYP17A1CA2FFAR4AR
SCHEMBL25232594 0.76 CYP2A6 (0.46) CYP2A6CA2MIF
SCHEMBL14093011 0.75 KIF11 (0.45) CYP17A1FFAR1FFAR4
SCHEMBL16693180 0.75 CYP2A6 (0.42) CYP2A6KDM1ACA2MIF
SCHEMBL14117289 0.74 MTNR1A (0.35) CYP2A6CYP17A1FFAR4AR
SCHEMBL16693236 0.74 KIF11 (0.41) CYP2A6CYP17A1MAOB
SCHEMBL13660795 0.74 MGLL (0.40) CYP17A1CA2
SCHEMBL9103428 0.72 CYP2A6 (0.45) CYP2A6CA2MAOB
SCHEMBL4920500 0.71 PTPN2 (0.40) KDM1ANT5EEPM2APTPN2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2702052-B1 17ALPHA-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2017-10-18 EP disclosed
US-20170247393-A1 Aminoisoxazoline Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors FORUM PHARMACEUTICALS, INC. 2017-08-31 US disclosed
US-20170247393-A1 Aminoisoxazoline Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors FORUM PHARMACEUTICALS, INC. 2017-08-31 US disclosed
US-20170247393-A1 Aminoisoxazoline Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors FORUM PHARMACEUTICALS, INC. 2017-08-31 US disclosed
US-9339501-B2 17a-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2016-05-17 US disclosed
US-20150209356-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-9029399-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-05-12 US disclosed
WO-2015066371-A1 SPIRO-OXADIAZOLINE COMPOUNDS AS AGONISTS OF α-7-NICOTINIC ACETYLCHOLINE RECEPTORS FORUM PHARMACEUTICALS, INC. (US) 2015-05-07 WO disclosed
US-20140228386-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-08-14 US disclosed
EP-2702052-A1 17ALPHA-HYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2014-03-05 EP disclosed
US-8598202-B2 Aryl-hydroxyethylamino-pyrimidines and triazines as modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-12-03 US disclosed
EP-2254415-B1 ARYL-HYDROXYETHYLAMINO-PYRIMIDINES AND TRIAZINES AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2013-01-23 EP disclosed
WO-2012149413-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-11-01 WO disclosed
EP-2254415-A1 ARYL-HYDROXYETHYLAMINO-PYRIMIDINES AND TRIAZINES AS MODULATORS OF FATTY ACID AMIDE HYDROLASE Janssen Pharmaceutica, N.V. (BE) 2010-12-01 EP disclosed
US-20090264429-A1 Aryl - Hydroxyethylamino - Pyrimidines and Triazines as Modulators of Fatty Acid amide Hydrolase JANSSEN PHARMACEUTICA NV (BE) 2009-10-22 US disclosed
WO-2009105220-A1 ARYL-HYDROXYETHYLAMINO-PYRIMIDINES AND TRIAZINES AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-27 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 (4 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-20170247393-A1 Aminoisoxazoline Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors CHRNA7, CHRNA5, CHRNA2 CYP2A6 1601/4885KDM1A 1781/4885CYP17A1 1644/4885
US-20150209356-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 CYP2A6 112/4885KDM1A 192/4885CYP17A1 1/4885
US-20140228386-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 CYP2A6 112/4885KDM1A 192/4885CYP17A1 1/4885
US-20090264429-A1 Aryl - Hydroxyethylamino - Pyrimidines and Triazines as Modulators of Fatty Acid amide Hydrolase FAAH, FAAH2, HRH2 CYP2A6 392/4885KDM1A 1857/4885CYP17A1 2394/4885

“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.