SCHEMBL10097408

SCHEMBL10097408

C=CCNC(=O)Nc1ccc(-c2c(N)c3ccc(OCCF)cc3n2CC)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
PFKFB2 O60825 1/20 0.35
NSD2 O96028 1/20 0.35
PFKFB1 P16118 1/20 0.35
PFKFB3 Q16875 1/20 0.35
DOT1L Q8TEK3 1/20 0.35
AS3MT Q9HBK9 1/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
AURKA O14965 3/20 0.34
AURKB Q96GD4 2/20 0.34
GAA P10253 3/20 0.34
HRH3 Q9Y5N1 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL10097403 0.91 ALDH1A1 (0.41) ALDH1A1PFKFB2NSD2PFKFB1PFKFB3
SCHEMBL10097378 0.90 ALDH1A1 (0.39) ALDH1A1PFKFB2NSD2PFKFB1PFKFB3
SCHEMBL10097444 0.88 HDAC1 (0.40) ALDH1A1MAPTCA12CA1CA2
SCHEMBL10097464 0.88 GSK3B (0.35) ALDH1A1PFKFB2NSD2PFKFB1PFKFB3
SCHEMBL10096247 0.87 PFKFB2 (0.41) ALDH1A1PFKFB2NSD2PFKFB1PFKFB3
SCHEMBL10097391 0.86 ALDH1A1 (0.39) ALDH1A1PFKFB2NSD2PFKFB1PFKFB3
SCHEMBL10249577 0.86 ALDH1A1 (0.42) ALDH1A1PFKFB2NSD2PFKFB1PFKFB3
SCHEMBL10097512 0.85 EPHX2 (0.48) AURKAAURKB
SCHEMBL10097452 0.85 ALDH1A1 (0.41) ALDH1A1PFKFB2NSD2PFKFB1PFKFB3
SCHEMBL10249891 0.84 ALDH1A1 (0.41) ALDH1A1PFKFB2NSD2PFKFB1PFKFB3

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-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO 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-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS ALDH1A1 1497/4885PFKFB2 4493/4885NSD2 3223/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP ALDH1A1 1067/4885PFKFB2 4202/4885NSD2 3529/4885

“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.