SCHEMBL3247822

SCHEMBL3247822

O=CCCCCCc1ccc(C(F)(F)F)c2ccccc12

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC2A1 P11166 3/20 0.33
SIGMAR1 Q99720 1/20 0.30
CTNNB1 P35222 1/20 0.30
WNT3A P56704 1/20 0.30
AR P10275 1/20 0.30

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
SCHEMBL3250713 0.80 SIGMAR1 (0.45) SLC2A1SIGMAR1
SCHEMBL3247818 0.79 HDAC1 (0.34) HDAC1HDAC8MEN1KMT2ASLC2A1
SCHEMBL3244602 0.77 CYP1A2 (0.42) SLC2A1
SCHEMBL3250810 0.76 MEN1 (0.34) HDAC1HDAC8MEN1KMT2AAR
SCHEMBL1508252 0.74 HDAC1 (0.48) HDAC1HDAC8MEN1KMT2AAR
SCHEMBL3242867 0.73 SLC2A1 (0.56) MEN1KMT2ASLC2A1
SCHEMBL3244852 0.73 MTNR1A (0.44) SIGMAR1
SCHEMBL3071084 0.72 AR (0.36) MEN1KMT2ACTNNB1WNT3AAR
SCHEMBL27549726 0.72 SLC2A1 (0.32) SLC2A1
SCHEMBL7184372 0.72 HPRT1 (0.42) MEN1KMT2ASIGMAR1

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-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 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 (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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 HDAC1 90/4885HDAC8 321/4885MEN1 300/4885

“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.