SCHEMBL3587561

SCHEMBL3587561

NCCC[CH]COc1ccsc1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.37
CYP1A2 P05177 2/20 0.37
ALDH1A1 P00352 5/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BCAT2 O15382 1/20 0.35
GAA P10253 4/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
PTPRC P08575 1/20 0.33
PTPN1 P18031 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK10 P53779 1/20 0.32
HSD17B10 Q99714 1/20 0.31
KEAP1 Q14145 1/20 0.31

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
SCHEMBL3582440 0.74 KDM4E (0.55) KMT2AMEN1HTTRAB9ACYP3A4
SCHEMBL1379773 0.72 KMT2A (0.68) KMT2AMEN1CYP1A2ALDH1A1L3MBTL1
SCHEMBL31078638 0.69 KMT2A (0.46) KMT2AMEN1CYP1A2ALDH1A1L3MBTL1
SCHEMBL14342685 0.68 BCAT2 (0.47) KMT2AMEN1CYP1A2ALDH1A1L3MBTL1
SCHEMBL3824969 0.68 MEN1 (0.59) KMT2AMEN1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4698700 0.67 IKBKB (0.46) KMT2AMEN1CYP1A2ALDH1A1BCAT2
SCHEMBL4106875 0.66 MEN1 (0.52) KMT2AMEN1CYP1A2ALDH1A1L3MBTL1
SCHEMBL21356996 0.65 BCAT2 (0.44) KMT2AMEN1CYP1A2ALDH1A1BCAT2
SCHEMBL10451424 0.64 BCAT2 (0.43) KMT2AMEN1CYP1A2ALDH1A1L3MBTL1
SCHEMBL31078505 0.63 HTR1B (0.49) KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048549-A1 Peptidomimetics selective for the somatostatin receptor subtypes 1 and/or 4 Wurster, Siegfried (FI) 2010-02-25 US disclosed
EP-1885693-A1 PEPTIDOMIMETICS SELECTIVE FOR THE SOMATOSTATIN RECEPTOR SUBTYPES 1 AND/OR 4 Wurster, Siegfried (FI) 2008-02-13 EP disclosed
WO-2006123020-A1 PEPTIDOMIMETICS SELECTIVE FOR THE SOMATOSTATIN RECEPTOR SUBTYPES 1 AND/OR 4 JUVANTIA PHARMA LTD OY (FI) 2006-11-23 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-20100048549-A1 Peptidomimetics selective for the somatostatin receptor subtypes 1 and/or 4 SSTR1, SSTR4, SSTR3 KMT2A 2996/4885MEN1 488/4885CYP1A2 3738/4885

“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.