SCHEMBL1000404

SCHEMBL1000404

O=C(CSc1ccc(C(F)(F)F)cn1)N1CCCc2c([nH]c3ccccc23)C1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
POLB P06746 3/20 0.51
PKM P14618 1/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 5/20 0.47
ALDH1A1 P00352 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
TP53 P04637 3/20 0.42
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.40

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
SCHEMBL998932 0.86 TP53 (0.43) MEN1KMT2APOLBMAPTTP53
SCHEMBL998561 0.85 TP53 (0.51) POLBMAPTTP53LMNATHRB
SCHEMBL997876 0.81 TP53 (0.46) MEN1KMT2AMAPTTP53LMNA
SCHEMBL999006 0.81 TRPV1 (0.51) POLBKDM4EMAPTALDH1A1LMNA
SCHEMBL1000174 0.77 TRPV1 (0.57) KDM4EALDH1A1
SCHEMBL1000594 0.76 POLB (0.71) MEN1KMT2APOLBPKMKDM4E
SCHEMBL997833 0.75 MAPT (0.74) MEN1KMT2APOLBPKMKDM4E
SCHEMBL999215 0.74 MAPT (0.52) MEN1KMT2APOLBPKMMAPT
SCHEMBL1079130 0.71 MAPT (0.65) MEN1KMT2APOLBPKMKDM4E
SCHEMBL6007306 0.71 MAPT (0.65) MEN1KMT2APOLBPKMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1637521-B1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO (JP) 2013-06-19 EP disclosed
US-7872133-B2 Tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-18 US disclosed
US-20060154944-A1 Novel tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-13 US disclosed
EP-1637521-A1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-03-22 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-20060154944-A1 Novel tricyclic heterocycle compound CYP11B1, CYP11B2, HCCS MEN1 1017/4885KMT2A 2539/4885POLB 1026/4885

“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.