SCHEMBL6290040

SCHEMBL6290040

CCOC(=O)C1SCCN1C(=O)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
PKM P14618 1/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 3/20 0.40
ELANE P08246 1/20 0.40
TACR3 P29371 4/20 0.39
KCNH2 Q12809 1/20 0.39
RAB9A P51151 1/20 0.39
RECQL P46063 1/20 0.39
HTR7 P34969 1/20 0.39
BRD4 O60885 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL6290048 0.80 HSD11B1 (0.43) MEN1KMT2AL3MBTL1ATMALDH1A1
SCHEMBL14508414 0.73 F2RL1 (0.55) MEN1KMT2ATDP1SMN1; SMN2HTT
SCHEMBL27710330 0.73 KMT2A (0.50) MEN1KMT2ATDP1SMN1; SMN2HTT
SCHEMBL5764171 0.73 F2RL1 (0.55) MEN1KMT2ATDP1SMN1; SMN2HTT
SCHEMBL3339277 0.73 TSHR (0.67) KMT2ALMNASMN1; SMN2L3MBTL1PKM
SCHEMBL29409302 0.72 NR1D1 (0.64) MEN1KMT2ALMNAMAPTL3MBTL1
SCHEMBL28555813 0.72 NR1D1 (0.64) MEN1KMT2ALMNAMAPTL3MBTL1
SCHEMBL7006264 0.71 ALDH1A1 (0.41) MEN1KMT2ALMNASMN1; SMN2L3MBTL1
SCHEMBL2436680 0.71 HPGD (0.65) MEN1KMT2ASMN1; SMN2PKMATM
SCHEMBL192942 0.69 HPGD (0.77) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD

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-6867211-B2 4-Pyridyl-and 2,4-pyrimidinyl-substituted pyrrole derivatives and their use in pharmacy MERCKLE GMBH (DE) 2005-03-15 US disclosed
US-20030153558-A1 4-Pyridyl-and 2,4-pyrimidinyl-substituted pyrrole derivatives and their use in pharmacy MERCKLE GMBH (DE) 2003-08-14 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-20030153558-A1 4-Pyridyl-and 2,4-pyrimidinyl-substituted pyrrole derivatives and their use in pharmacy IL4, IL2, IL5 MEN1 3795/4885KMT2A 4671/4885TDP1 1778/4885

“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.