SCHEMBL17404607

SCHEMBL17404607

CCCn1cnc2cc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.53
CNR2 P34972 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HDAC4 P56524 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
CRBN Q96SW2 1/20 0.44
GPR119 Q8TDV5 8/20 0.43
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
DYRK2 Q92630 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC1 Q13547 1/20 0.40

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
SCHEMBL16156042 0.87 HDAC4 (0.44) HPGDCNR2MEN1KMT2AHDAC4
SCHEMBL16149875 0.87 MEN1 (0.51) HPGDCNR2MEN1KMT2AHDAC4
SCHEMBL23641737 0.82 FASN (0.60) HPGD
SCHEMBL16151021 0.80 HDAC4 (0.44) HPGDCNR2MEN1KMT2AHDAC4
SCHEMBL16156015 0.79 MEN1 (0.54) CNR2MEN1KMT2AHDAC4CRBN
SCHEMBL110178 0.79 HPGD (0.51) HPGDCNR2MEN1KMT2AHDAC4
SCHEMBL8252454 0.77 KMT2A (0.72) HPGDMEN1KMT2AHDAC4ALDH1A1
SCHEMBL16156045 0.77 CRBN (0.52) MEN1KMT2AHDAC4ALDH1A1CRBN
SCHEMBL16151180 0.74 HPGD (0.46) HPGDHDAC1
SCHEMBL21877967 0.74 POLB (0.45) HDAC4GPR119DYRK2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180050997-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2018-02-22 US disclosed
US-20160002188-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2016-01-07 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-20180050997-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FASN, FABP1, SCD HPGD 3017/4885CNR2 1795/4885MEN1 4365/4885
US-20160002188-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FASN, FABP1, SCD HPGD 3017/4885CNR2 1795/4885MEN1 4365/4885

“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.