SCHEMBL1198019

SCHEMBL1198019

CCOC(=O)c1nc(-c2cccc(C(F)(F)F)c2)cs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
MAPT P10636 3/20 0.58
KDM4E B2RXH2 7/20 0.54
ALDH1A1 P00352 7/20 0.54
HPGD P15428 5/20 0.54
GAA P10253 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
TDP1 Q9NUW8 1/20 0.50
CFTR P13569 2/20 0.49
SIRT5 Q9NXA8 1/20 0.46
ITGB2 P05107 1/20 0.46
ICAM1 P05362 1/20 0.46
ITGAL P20701 1/20 0.46
ITGB3 P05106 2/20 0.45
ITGA2B P08514 2/20 0.45
ADAM17 P78536 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
SCHEMBL204475 0.85 L3MBTL1 (0.57) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL12876854 0.84 ATP4A (0.49) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL14564366 0.83 ALDH1A1 (0.48) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL13078605 0.83 ALDH1A1 (0.59) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL6438482 0.82 NR1H4 (0.54) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL3919689 0.82 SMN1; SMN2 (0.57) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL12942140 0.82 L3MBTL1 (0.61) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL3749301 0.81 ALDH1A1 (0.67) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL2858900 0.81 ALDH1A1 (0.51) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL694852 0.81 ALDH1A1 (0.56) MEN1KMT2AMAPTKDM4EALDH1A1

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-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 US disclosed
EP-2264017-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-12-22 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-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF PDE3B, PDE5A, PDE2A MEN1 2661/4885KMT2A 3197/4885MAPT 4667/4885

“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.