SCHEMBL3249477

SCHEMBL3249477

[CH2]c1ccccc1Cc1ccccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.48
AR P10275 1/20 0.43
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ATM Q13315 1/20 0.41
LTA4H P09960 1/20 0.40
KMT2A Q03164 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
POLB P06746 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAOB P27338 3/20 0.38
POLQ O75417 1/20 0.38
DAO P14920 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 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
SCHEMBL2223002 0.80 HSPA5 (0.46) IDO1KMT2ATDP1
SCHEMBL15637377 0.76 IDO1 (0.48) IDO1ARALDH1A1KDM4EATM
SCHEMBL67468 0.75 ALDH1A1 (0.43) IDO1ALDH1A1KMT2APOLBTDP1
SCHEMBL5380250 0.75 KDM4E (0.56) IDO1ARALDH1A1KDM4EATM
SCHEMBL148905 0.74 IDO1 (0.55) IDO1ARALDH1A1KDM4EATM
SCHEMBL5206144 0.74 IDO1 (0.55) IDO1ARALDH1A1KDM4EATM
SCHEMBL3647884 0.73 IDO1 (0.59) IDO1ARALDH1A1KDM4EATM
SCHEMBL17329111 0.73 IDO1 (0.59) IDO1ALDH1A1KDM4EATMKMT2A
SCHEMBL5536341 0.73 KDM4E (0.45) IDO1ALDH1A1KDM4EATMPOLB
SCHEMBL3245734 0.72 TAAR1 (0.46) IDO1ARALDH1A1KDM4EL3MBTL1

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 IDO1 527/4885AR 106/4885ALDH1A1 874/4885

“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.