SCHEMBL4683949

SCHEMBL4683949

COC(=O)C(OC)(OC)c1csc(N)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 6/20 0.39
MAPT P10636 5/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
POLB P06746 2/20 0.38
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 3/20 0.37
GABRA5 P31644 1/20 0.37
GABRB2 P47870 1/20 0.37
NOS1 P29475 1/20 0.36
PIK3CG P48736 1/20 0.35
LTA4H P09960 1/20 0.34
MKNK1 Q9BUB5 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
SCHEMBL21044247 0.82 TSHR (0.48) TSHRHPGDHTTALDH1A1MAPT
SCHEMBL9355256 0.75 TSHR (0.45) TSHRHPGDHTTALDH1A1MAPT
SCHEMBL27675798 0.73 TSHR (0.41) TSHRHPGDHTTALDH1A1MAPT
SCHEMBL27703557 0.73 TSHR (0.41) TSHRHPGDHTTALDH1A1MAPT
SCHEMBL27953284 0.73 TSHR (0.52) TSHRHPGDHTTALDH1A1MAPT
Hydrochloric Acid SCHEMBL27348115 0.73 ALDH1A1 (0.41) TSHRHPGDHTTALDH1A1MAPT
SCHEMBL27183840 0.72 MAPT (0.43) TSHRHPGDHTTALDH1A1MAPT
SCHEMBL27183942 0.72 RAB9A (0.47) TSHRALDH1A1MAPTKMT2AMEN1
SCHEMBL27183784 0.72 KDM4E (0.43) TSHRHPGDHTTALDH1A1KMT2A
SCHEMBL20769737 0.72 HSD17B10 (0.47) TSHRHPGDHTTALDH1A1MAPT

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-7427635-B2 Substituted hydantoins HOFFMANN-LA ROCHE INC. (US) 2008-09-23 US disclosed
EP-1781649-B1 SUBSTITUTED HYDANTOINS HOFFMANN LA ROCHE (CH) 2008-08-13 EP disclosed
EP-1781649-A2 SUBSTITUTED HYDANTOINS F. Hoffmann-Roche AG (CH) 2007-05-09 EP disclosed
US-20060041146-A1 Substituted hydantoins HOFFMANN-LA ROCHE AG 2006-02-23 US disclosed
WO-2006018188-A2 SUBSTITUTED HYDANTOINS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-23 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 (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-20060041146-A1 Substituted hydantoins HNMT, MAPK6, KYNU TSHR 2657/4885HPGD 125/4885HTT 207/4885

“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.