SCHEMBL5724005

SCHEMBL5724005

O=C(c1csc(N2CC(O)C2)n1)N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HRH3 Q9Y5N1 2/20 0.40
GNE Q9Y223 1/20 0.40
TRPC3 Q13507 2/20 0.38
TRPC6 Q9Y210 2/20 0.38
GFER P55789 1/20 0.38

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
SCHEMBL5723590 0.99 HTR2C (0.46) HTR2CALDH1A1HPGDL3MBTL1NPC1
SCHEMBL5725358 0.97 HTR2C (0.42) HTR2CALDH1A1HPGDL3MBTL1NPC1
SCHEMBL5723948 0.89 HTR2C (0.40) HTR2CALDH1A1HPGDL3MBTL1NPC1
SCHEMBL5724039 0.88 HTR2C (0.50) HTR2CALDH1A1L3MBTL1RAB9AHSD17B10
SCHEMBL5724485 0.88 TSHR (0.44) HTR2CHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL18131017 0.85 HTR2C (0.51) HTR2CALDH1A1HPGDL3MBTL1NPC1
SCHEMBL5724025 0.82 KMT2A (0.43) HTR2CALDH1A1HPGDL3MBTL1NPC1
SCHEMBL5723784 0.82 KMT2A (0.40) HTR2CALDH1A1HPGDL3MBTL1NPC1
SCHEMBL5724457 0.81 KMT2A (0.45) HTR2CALDH1A1HPGDL3MBTL1NPC1
SCHEMBL5724462 0.81 HRH3 (0.40) HTR2CMEN1KMT2AHRH3TRPC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1289498-C 1-methylcarbapenem derivatives SANKYO CO (JP) 2006-12-13 CN disclosed
EP-1340757-B1 1-METHYLCARBAPENEM DERIVATIVES SANKYO CO (JP) 2006-10-11 EP disclosed
US-7001897-B2 1-methylcarbapenem derivatives SANKYO COMPANY, LIMITED (JP) 2006-02-21 US disclosed
CN-1486317-A 1-methylcarbapenem derivatives ������������ʽ���� 2004-03-31 CN disclosed
US-20040014962-A1 1-Methylcarbapenem derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-22 US disclosed
EP-1340757-A1 1-METHYLCARBAPENEM DERIVATIVES Sankyo Company, Limited (JP) 2003-09-03 EP 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-20040014962-A1 1-Methylcarbapenem derivatives CD14, CPT1A, ACMSD HTR2C 4623/4885ALDH1A1 637/4885HPGD 1268/4885

“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.