SCHEMBL3782479

SCHEMBL3782479

O=C(O)CN1C(=O)CCc2cc(C(F)(F)F)ccc21

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.50
MAPT P10636 3/20 0.46
HDAC1 Q13547 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
ALDH1A1 P00352 1/20 0.44
ATAD2 Q6PL18 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
AADAT Q8N5Z0 1/20 0.42
TP53 P04637 2/20 0.41
HDAC8 Q9BY41 2/20 0.40
FPR2 P25090 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 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
SCHEMBL29456205 1.00 NOTUM (0.50) NOTUMMAPTHDAC1HDAC6ALDH1A1
SCHEMBL3306413 0.90 KIF11 (0.44) NOTUMMAPTHDAC1HDAC6ALDH1A1
SCHEMBL3306622 0.88 CYP11B1 (0.46) NOTUMMAPTHDAC1HDAC6MEN1
SCHEMBL10511865 0.83 CHRM1 (0.48) NOTUMMAPTHDAC1HDAC6ATAD2
SCHEMBL3308821 0.80 GRIN1 (0.44) MAPTMEN1KMT2ATP53
SCHEMBL3306925 0.80 KIF11 (0.42) MAPTHDAC6
SCHEMBL14320821 0.80 ATAD2 (0.67) MAPTHDAC1HDAC6ALDH1A1ATAD2
SCHEMBL10507895 0.80 HDAC1 (0.60) NOTUMHDAC1HDAC6ATAD2HDAC8
SCHEMBL14564427 0.80 TSHR (0.56) NOTUMMAPTALDH1A1ATAD2MEN1
SCHEMBL3305872 0.80 LMNA (0.44) NOTUMMAPTHDAC1HDAC6TP53

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
US-20220081427-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2022-03-17 US disclosed
US-20200277285-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2020-09-03 US disclosed
US-20200039972-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2020-02-06 US disclosed
US-20190194176-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2019-06-27 US disclosed
US-20180319780-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2018-11-08 US disclosed
US-20180037577-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2018-02-08 US disclosed
EP-2393806-B1 INHIBITORS OF JUN N-TERMINAL KINASE ELAN PHARM INC (US) 2017-10-25 EP disclosed
US-9796706-B2 Inhibitors of Jun N-terminal kinase IMAGO PHARMACEUTICALS, INC. (US) 2017-10-24 US disclosed
US-20170107209-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2017-04-20 US disclosed
US-20150259330-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2015-09-17 US disclosed
US-9073891-B2 Inhibitors of Jun N-terminal kinase IMAGO PHARMACEUTICALS, INC. (US) 2015-07-07 US disclosed
US-8450363-B2 Inhibitors of Jun N-terminal kinase ELAN PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
US-20130072494-A1 INHIBITORS OF JUN N-TERMINAL KINASE ELAN PHARMACEUTICALS, INC. 2013-03-21 US disclosed
US-20100331335-A1 Inhibitors of Jun N-Terminal Kinase ELAN PHARMACETICALS, INC. 2010-12-30 US 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 (10 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-20200039972-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 NOTUM 2315/4885MAPT 51/4885HDAC1 391/4885
US-20190194176-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 NOTUM 2315/4885MAPT 51/4885HDAC1 391/4885
US-20150259330-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 NOTUM 2315/4885MAPT 51/4885HDAC1 391/4885
US-20170107209-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 NOTUM 2315/4885MAPT 51/4885HDAC1 391/4885
US-20180037577-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 NOTUM 2315/4885MAPT 51/4885HDAC1 391/4885
US-20130072494-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 NOTUM 2315/4885MAPT 51/4885HDAC1 391/4885
US-20220081427-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 NOTUM 2315/4885MAPT 51/4885HDAC1 391/4885
US-20200277285-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 NOTUM 2315/4885MAPT 51/4885HDAC1 391/4885
US-20180319780-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 NOTUM 2315/4885MAPT 51/4885HDAC1 391/4885
US-20100331335-A1 Inhibitors of Jun N-Terminal Kinase CHUK, MAPK6, MAPK3 NOTUM 2315/4885MAPT 51/4885HDAC1 391/4885

“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.