SCHEMBL3551990

SCHEMBL3551990

O=C(Cl)CCCOc1ccccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
PKM P14618 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HPGD P15428 2/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
KCNH2 Q12809 1/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL3161189 0.86 MEN1 (0.58) MEN1KMT2APKMSMN1; SMN2LMNA
SCHEMBL13527393 0.84 MEN1 (0.57) MEN1KMT2APKMSMN1; SMN2LMNA
SCHEMBL3168428 0.81 MEN1 (0.57) MEN1KMT2APKMSMN1; SMN2LMNA
SCHEMBL8806413 0.81 KDM4E (0.54) MEN1KMT2ASMN1; SMN2L3MBTL1TDP1
SCHEMBL578719 0.80 LMNA (0.64) MEN1KMT2APKMSMN1; SMN2LMNA
SCHEMBL3254718 0.79 MEN1 (0.58) MEN1KMT2APKMSMN1; SMN2LMNA
SCHEMBL9322243 0.79 MEN1 (0.55) MEN1KMT2APKMSMN1; SMN2LMNA
SCHEMBL11002763 0.79 MAPT (0.70) MEN1KMT2ASMN1; SMN2LMNAL3MBTL1
SCHEMBL11488532 0.79 MEN1 (0.58) MEN1KMT2APKMSMN1; SMN2LMNA
SCHEMBL9860833 0.79 MEN1 (0.58) MEN1KMT2APKMSMN1; SMN2LMNA

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-7732452-B2 Thiophene derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. (US) 2010-06-08 US disclosed
EP-1931651-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2008-06-18 EP disclosed
US-20070161650-A1 Novel thiophene derivatives which are HM74A agonists F. HOFFMANN-LA ROCHE AG (CH) 2007-07-12 US disclosed
WO-2007039482-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
US-20070072873-A1 Novel thiophene derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. 2007-03-29 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 (2 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-20070072873-A1 Novel thiophene derivatives which are HM74A agonists GPR84, GPR174, MRGPRX1 MEN1 1943/4885KMT2A 1863/4885PKM 1789/4885
US-20070161650-A1 Novel thiophene derivatives which are HM74A agonists GPR84, GPR174, MRGPRX1 MEN1 1943/4885KMT2A 1863/4885PKM 1789/4885

“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.