SCHEMBL12995268

SCHEMBL12995268

CCON=Cc1c(-c2ccc(NC(=O)OC(C)C3CC3)cc2)n(C2CCC2)c2cc(OCC)ccc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 3/20 0.35
FAAH O00519 2/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ACACB O00763 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL12995092 0.95 FLT3 (0.39) FLT3SMN1; SMN2KMT2AFAAHMEN1
SCHEMBL10096102 0.91 KMT2A (0.38) SMN1; SMN2KMT2AMEN1MAPTHPGD
SCHEMBL12995271 0.90 SMN1; SMN2 (0.35) SMN1; SMN2KMT2AFAAHMEN1MAPT
SCHEMBL12995269 0.90 HRH3 (0.34) FLT3
SCHEMBL13152413 0.87 KMT2A (0.37) SMN1; SMN2KMT2AFAAHMEN1MAPT
SCHEMBL12995396 0.86 NPC1 (0.49) SMN1; SMN2KMT2AMEN1MAPTHPGD
SCHEMBL12995267 0.86 MEN1 (0.39) SMN1; SMN2KMT2AMEN1MAPTHPGD
SCHEMBL12995219 0.86 KMT2A (0.39) SMN1; SMN2KMT2AMEN1MAPTHPGD
SCHEMBL10096053 0.86 RAB9A (0.39) SMN1; SMN2KMT2AMEN1MAPTHPGD
SCHEMBL12995093 0.86 HRH3 (0.35) FLT3SMN1; SMN2HPGDCYP1A2CYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 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 (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-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS FLT3 2143/4885SMN1; SMN2 3609/4885KMT2A 4464/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS FLT3 2143/4885SMN1; SMN2 3609/4885KMT2A 4464/4885

“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.