SCHEMBL29907402

SCHEMBL29907402

CCOC(=O)c1ccc(NC(=O)c2cc(C)nn(-c3ccccc3OCC(F)F)c2=O)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MAPT P10636 4/20 0.47
HPGD P15428 4/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
AR P10275 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
KDM4E B2RXH2 4/20 0.40
NR3C1 P04150 2/20 0.40
LMNA P02545 1/20 0.40
P2RY1 P47900 1/20 0.40
PTGES O14684 1/20 0.39
F10 P00742 1/20 0.39
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TSHR P16473 1/20 0.35
POLB P06746 1/20 0.35
UGCG Q16739 1/20 0.34
MAPK1 P28482 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL29601644 0.84 KMT2A (0.49) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL29907650 0.78 TSHR (0.41) ALDH1A1HPGDKMT2AKDM4EP2RY1
SCHEMBL29907563 0.77 TSHR (0.45) MAPTP2RY1TSHRUGCG
SCHEMBL29601829 0.77 UGCG (0.59) P2RY1TSHRUGCG
SCHEMBL29907424 0.77 UGCG (0.51) MAPTSMN1; SMN2P2RY1TSHRUGCG
SCHEMBL29602191 0.76 UGCG (0.46) TSHRUGCG
SCHEMBL29907624 0.75 UGCG (0.44) MAPTKMT2AMEN1SMN1; SMN2P2RY1
SCHEMBL29907665 0.75 UGCG (0.47) MAPTSMN1; SMN2P2RY1PTGESTSHR
SCHEMBL29907363 0.75 SCN9A (0.46) KMT2AMEN1SMN1; SMN2P2RY1PTGES
SCHEMBL29907458 0.75 UGCG (0.47) P2RY1PTGESUGCG

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-20220289679-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-09-15 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-20220289679-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC ALDH1A1 1563/4885MAPT 772/4885HPGD 1675/4885

“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.