SCHEMBL3245477

SCHEMBL3245477

O=Cc1ccc(C(F)(F)F)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ERN1 O75460 3/20 0.40
NFKB1 P19838 1/20 0.38
CYP2A6 P11509 2/20 0.37
IMPDH2 P12268 2/20 0.37
BACE1 P56817 1/20 0.37
KIF11 P52732 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
HSP90AA1 P07900 1/20 0.36
IDO1 P14902 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL6412068 0.80 BACE1 (0.37) NFKB1BACE1KIF11L3MBTL1ALDH1A1
SCHEMBL7685402 0.80 MEN1 (0.41) MEN1KMT2ALMNATHRBBLM
SCHEMBL982388 0.80 KMT2A (0.61) MEN1KMT2ALMNATHRBBLM
SCHEMBL29786760 0.80 KMT2A (0.61) MEN1KMT2ALMNATHRBBLM
SCHEMBL6820372 0.74 PIM1 (0.41) PIM1PIM3MEN1KMT2ALMNA
SCHEMBL30679644 0.74 PTPN1 (0.46) ERN1KIF11PTPN1
SCHEMBL67207 0.74 NFKB1 (0.57) PIM1PIM3MEN1KMT2ALMNA
SCHEMBL29417728 0.74 NFKB1 (0.57) PIM1PIM3MEN1KMT2ALMNA
SCHEMBL485577 0.72 ERN1 (0.47) MEN1KMT2ALMNATHRBBLM
SCHEMBL18244061 0.72 KIF11 (0.37) MEN1KMT2ALMNANFKB1BACE1

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
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
CN-1354750-A Amine derivatives compounds SANKYO CO (JP) 2002-06-19 CN 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 PIM1 2217/4885PIM3 3006/4885MEN1 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.