SCHEMBL2432018

SCHEMBL2432018

O=C(ONC1(c2ccnnc2)CC1)C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
ITGA4 P13612 1/20 0.31
ITGB7 P26010 1/20 0.31
VNN1 O95497 1/20 0.31
HCAR2 Q8TDS4 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
SCHEMBL27889000 0.86 ITGA4 (0.33) ITGA4ITGB7HCAR2
SCHEMBL13386460 0.77 HDAC6 (0.38) HDAC3HDAC1HDAC2HDAC6
SCHEMBL2986859 0.75 VNN1 (0.39) VNN1
Trifluoroacetic Acid SCHEMBL2432015 0.68 HCAR2 (0.37) ITGA4ITGB7HCAR2
SCHEMBL30599582 0.66 VNN1 (0.42) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL27905673 0.60 P2RX7 (0.32)
SCHEMBL17223345 0.59 KDM1A (0.40)
SCHEMBL17223535 0.59 KDM1A (0.40)
SCHEMBL17223485 0.59 KDM1A (0.40)
SCHEMBL21408730 0.59 PLOD2 (0.67) HDAC3HDAC1HCAR2

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-2545050-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2014-08-13 EP disclosed
EP-2545050-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2013-01-16 EP disclosed
US-8293909-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-23 US disclosed
WO-2011112186-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-15 WO disclosed
US-20100184800-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-07-22 US 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-20100184800-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 HDAC3 1270/4885HDAC1 2303/4885HDAC2 3613/4885

“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.