SCHEMBL4156162

SCHEMBL4156162

O=C(O)c1ccc2[nH]nc(/C=C/c3ccc(F)cc3)c2c1OCCN1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
MAPK14 Q16539 1/20 0.39
POLB P06746 1/20 0.38
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38

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
SCHEMBL4156167 1.00 MEN1 (0.41) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL4144536 0.92 PARP1 (0.42) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL4144546 0.92 PARP1 (0.42) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL4302165 0.90 HTR2A (0.39) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL4302169 0.90 HTR2A (0.39) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL4144214 0.89 ALDH1A1 (0.42) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL4144216 0.89 ALDH1A1 (0.42) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL4145298 0.85 CHEK1 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4145302 0.85 CHEK1 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4143864 0.84 CHEK1 (0.35) MEN1KMT2AHDAC6PRKAB2PRKAG1

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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 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 (2 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B MEN1 4415/4885KMT2A 810/4885HDAC3 138/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B MEN1 4470/4885KMT2A 741/4885HDAC3 148/4885

“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.