SCHEMBL720005

SCHEMBL720005

CCc1oc2ccccc2c1C(Nc1ccc(C(=O)N(C)CCC(=O)O)cc1)C1CCCCC1.CCc1oc2ccccc2c1C(O)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
VKORC1 Q9BQB6 2/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TEAD4 Q15561 1/20 0.33
GCG P01275 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
EYA3 Q99504 1/20 0.32
ABL1 P00519 1/20 0.32
RIN1 Q13671 1/20 0.32
TP53 P04637 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
RCE1 Q9Y256 1/20 0.31
NAMPT P43490 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL720542 0.96 CYP2C19 (0.37) CYP2C19ALDH1A1MAPTHPGDALOX15
SCHEMBL720006 0.87 TP53 (0.34) CYP2C19ALDH1A1MAPTHPGDALOX15
SCHEMBL719479 0.82 GCG (0.46) ALDH1A1MAPTHPGDALOX15KMT2A
SCHEMBL716552 0.81 NPC1 (0.40) CYP2C19ALDH1A1MAPTKMT2AVKORC1
SCHEMBL719941 0.78 TEAD4 (0.39) CYP2C19ALDH1A1HPGDHDAC6TEAD4
SCHEMBL2669983 0.77 GCG (0.41) CYP2C19KMT2AHDAC6GCGSLC22A12
SCHEMBL3110628 0.77 GCG (0.38) CYP2C19ALDH1A1MAPTHPGDKMT2A
SCHEMBL719577 0.76 GCGR (0.37) MAPTHDAC6GCGABL1RIN1
SCHEMBL719970 0.76 CYP2C19 (0.49) CYP2C19ALDH1A1MAPTHPGDALOX15
SCHEMBL718671 0.75 MAOB (0.38) MAPTTEAD4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP CYP2C19 946/4885ALDH1A1 504/4885MAPT 4533/4885

“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.