SCHEMBL4237157

SCHEMBL4237157

CCOC(=O)c1csc(Oc2cc(C(C)(C)C)ccc2C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.45
NPC1 O15118 6/20 0.45
MAPT P10636 6/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
NPSR1 Q6W5P4 2/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 2/20 0.41
HSD17B10 Q99714 1/20 0.41
HSP90AA1 P07900 2/20 0.41
MAPK1 P28482 2/20 0.41
ANO1 Q5XXA6 1/20 0.41
GAA P10253 3/20 0.40
HPGD P15428 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
SCHEMBL4233510 0.86 ALDH1A1 (0.39) RAB9AALDH1A1SMN1; SMN2CYP2C19LMNA
SCHEMBL4229129 0.82 SMN1; SMN2 (0.47) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL4233103 0.77 NLRP3 (0.40) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL4233364 0.75 TOP2A (0.35) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL9648904 0.74 RAB9A (0.47) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL13743435 0.74 GNRHR (0.35) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL1660221 0.73 RAB9A (0.66) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL5345436 0.73 RAB9A (0.56) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL16398928 0.72 KDM4E (0.57) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL16399268 0.71 RAB9A (0.49) RAB9ANPC1MAPTALDH1A1MEN1

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-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists TAKEDA CAMBRIDGE LIMITED (GB) 2009-08-20 US disclosed
EP-1896465-A1 HETEROCYCLIC NON-PEPTIDE GNRH ANTAGONISTS Takeda Cambridge Limited (GB) 2008-03-12 EP disclosed
WO-2007000582-A1 HETEROCYCLIC NON-PEPTIDE GNRH ANTAGONISTS TAKEDA CAMBRIDGE LIMITED (GB) 2007-01-04 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-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists GNRHR, GHRHR, FSHR RAB9A 961/4885NPC1 2374/4885MAPT 4754/4885

“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.