SCHEMBL5221997

SCHEMBL5221997

CCOC(=O)c1cc2cc(C(F)(F)F)ccc2o1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.63
PIM2 Q9P1W9 1/20 0.63
HRH3 Q9Y5N1 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
MAOB P27338 1/20 0.48
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL15714288 0.89 HDAC4 (0.49) PIM1PIM2HRH3HDAC4HDAC6
SCHEMBL16595205 0.87 PIM1 (0.60) PIM1PIM2HRH3MAOBCA12
SCHEMBL3860660 0.85 MAOB (0.47) PIM1PIM2MAOBCA12CA2
SCHEMBL17161458 0.85 PIM1 (0.68) PIM1PIM2HRH3MAOBCA12
SCHEMBL15714290 0.83 PIM1 (0.63) PIM1PIM2HRH3MAPTKMT2A
SCHEMBL21944994 0.82 KDM4E (0.50) PIM1PIM2HRH3HDAC4HDAC6
SCHEMBL16684605 0.82 MAOB (0.51) MAOBCA12CA2CA3CA4
SCHEMBL1066982 0.81 TAS1R3 (0.56) MAOBCA12CA2CA3CA4
SCHEMBL25777700 0.81 CA12 (0.59) MAOBCA12CA2CA3CA4
SCHEMBL3853421 0.81 ESR1 (0.52) MAOBCA12CA2CA3CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3428162-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-05-05 EP disclosed
EP-2922845-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL INC (US) 2018-06-20 EP disclosed
US-9249102-B2 Anthelmintic compounds and compositions and method of using thereof MERIAL, INC. (US) 2016-02-02 US disclosed
US-20150289512-A1 METHOD FOR PROMOTING PLANT GROWTH SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-15 US disclosed
US-20150289512-A1 METHOD FOR PROMOTING PLANT GROWTH SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-15 US disclosed
US-20150289512-A1 METHOD FOR PROMOTING PLANT GROWTH SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-15 US disclosed
WO-2014081697-A2 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2014-05-30 WO disclosed
US-20140142114-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2014-05-22 US disclosed
EP-1474419-B1 AMIDES OF AMINOALKYL-SUBSTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES NOVO NORDISK AS (DK) 2007-09-05 EP disclosed
EP-1474419-B1 AMIDES OF AMINOALKYL-SUBSTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES NOVO NORDISK AS (DK) 2007-09-05 EP disclosed
US-7101898-B2 For therapy of allergic rhinitis, ulcer or anorexia, diabetes, Alzheimer's disease, narcolepsy or attention deficit disorder NOVO NORDISK A/S (DK) 2006-09-05 US disclosed
EP-1474419-A1 AMIDES OF AMINOALKYL-SUBSTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES NOVO NORDISK A/S (DK) 2004-11-10 EP disclosed
US-20030195190-A1 Amides of aminoalkyl-substituted azetidines, pyrrolidines, piperidines and azepanes HIGH POINT PHARMACEUTICALS, LLC 2003-10-16 US disclosed
WO-2003064411-A1 AMIDES OF AMINOALKYL-SUBSTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES NOVO NORDISK A/S (DK) 2003-08-07 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 (3 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-20030195190-A1 Amides of aminoalkyl-substituted azetidines, pyrrolidines, piperidines and azepanes HRH3, HRH2, HRH4 PIM1 4022/4885PIM2 3296/4885HRH3 1/4885
US-20140142114-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF CYP3A5, ABCC5, CXXC5 PIM1 4110/4885PIM2 3999/4885HRH3 141/4885
US-20150289512-A1 METHOD FOR PROMOTING PLANT GROWTH FGF1, MKI67, FGF2 PIM1 2283/4885PIM2 3271/4885HRH3 3775/4885

“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.