SCHEMBL18608253

SCHEMBL18608253

O=C(NC1CCCc2ccccc21)c1cnc2n(c1=O)CCS2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.62
HPGD P15428 2/20 0.62
SMN1; SMN2 Q16637 4/20 0.57
RAB9A P51151 4/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
MAPT P10636 2/20 0.57
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 1/20 0.54
HTT P42858 3/20 0.54
TAS1R3 Q7RTX0 4/20 0.53
TAS1R1 Q7RTX1 4/20 0.53
TAS1R2 Q8TE23 4/20 0.53
NPC1 O15118 3/20 0.53
TAAR1 Q96RJ0 1/20 0.53
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
STAT3 P40763 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TSHR P16473 1/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL18608258 0.94 ALDH1A1 (0.61) ALDH1A1HPGDSMN1; SMN2RAB9AL3MBTL1
SCHEMBL18608638 0.80 ALDH1A1 (0.67) ALDH1A1HPGDSMN1; SMN2RAB9AL3MBTL1
SCHEMBL18608646 0.77 ALDH1A1 (0.73) ALDH1A1HPGDSMN1; SMN2RAB9AL3MBTL1
SCHEMBL18608252 0.76 ALDH1A1 (0.97) ALDH1A1HPGDSMN1; SMN2RAB9AL3MBTL1
SCHEMBL18608724 0.75 ALDH1A1 (0.56) ALDH1A1HTTTAS1R3TAS1R1TAS1R2
SCHEMBL18608347 0.75 TAS1R3 (0.57) ALDH1A1TAS1R3TAS1R1TAS1R2KDM4E
SCHEMBL18608352 0.74 LMNA (0.55) ALDH1A1MAPTCYP1A2CYP2C19HTT
SCHEMBL18608249 0.72 ALDH1A1 (0.80) ALDH1A1HPGDSMN1; SMN2RAB9AL3MBTL1
SCHEMBL18608260 0.72 ALDH1A1 (0.80) ALDH1A1HPGDSMN1; SMN2RAB9AL3MBTL1
SCHEMBL2406255 0.71 HTT (1.00) ALDH1A1L3MBTL1HTTTAS1R3TAS1R1

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-20190112316-A1 THIAZOLO[3,2-A] PYRIMIDINONE AND OTHER HETEROBICYCLIC PYRIMIDINONE COMPOUNDS FOR USE IN MEDICAL THERAPY LYSOSOMAL THERAPEUTICS INC (US) 2019-04-18 US disclosed
WO-2017040879-A1 THIAZOLO(3,2-A) PYRIMIDINONE AND OTHER HETEROBICYCLIC PYRIMIDINONE COMPOUNDS FOR USE IN MEDICAL THERAPY LYSOSOMAL THERAPEUTICS INC. (US) 2017-03-09 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-20190112316-A1 THIAZOLO[3,2-A] PYRIMIDINONE AND OTHER HETEROBICYCLIC PYRIMIDINONE COMPOUNDS FOR USE IN MEDICAL THERAPY PARK7, GAA, TYMP ALDH1A1 1351/4885HPGD 542/4885SMN1; SMN2 51/4885

“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.