SCHEMBL4100907

SCHEMBL4100907

CCOC(=O)c1cc2sc(Br)c(C)c2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 5/20 0.43
HPGD P15428 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 5/20 0.42
LMNA P02545 4/20 0.42
NPC1 O15118 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.42
ALOX15 P16050 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
HTT P42858 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL1242423 0.89 PYGL (0.44) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL3562635 0.85 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL18034526 0.85 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL6629323 0.83 HRH4 (0.54) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL31229783 0.82 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL1242296 0.78 RAB9A (0.43) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL27348017 0.77 ALOX15 (0.47) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL1244590 0.77 RAB9A (0.51) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL20745602 0.74 RAB9A (0.46) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL6627447 0.74 KDM4E (0.46) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2

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-20090069384-A1 THIENOPYRROLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2009-03-12 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-20090069384-A1 THIENOPYRROLES USEFUL IN THE TREATMENT OF INFLAMMATION NPY5R, TH, PTGES ALDH1A1 2718/4885KDM4E 583/4885HPGD 211/4885

“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.