SCHEMBL4461629

SCHEMBL4461629

CC(C)(C)c1ccc(C(=S)Nc2cccc(Br)c2Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
RAB9A P51151 4/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HDAC1 Q13547 1/20 0.40
DHPS P49366 3/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
NR1H4 Q96RI1 3/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 1/20 0.39
PABPC1 P11940 1/20 0.39
EIF4H Q15056 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
SCHEMBL28914436 0.88 L3MBTL1 (0.49) CA1CA2RAB9ANPC1ALDH1A1
SCHEMBL4476444 0.84 RAB9A (0.60) CA1CA2RAB9ANPC1ALDH1A1
SCHEMBL4468028 0.83 SMN1; SMN2 (0.43) CA1CA2RAB9ANPC1ALDH1A1
SCHEMBL3924009 0.74 MAPT (0.44) RAB9ANPC1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL28557009 0.73 NPC1 (0.58) CA1CA2RAB9ANPC1ALDH1A1
SCHEMBL28582879 0.73 L3MBTL1 (0.49) RAB9ANPC1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL6217659 0.71 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AGAAHTT
SCHEMBL28470795 0.71 NPC1 (0.60) RAB9ANPC1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL3288511 0.71 RAB9A (0.68) CA1CA2RAB9ANPC1ALDH1A1
SCHEMBL1041220 0.71 RAB9A (0.64) CA1CA2RAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531542-B2 Benzooxazole and benzothiazole antagonists of gonadotropin releasing hormone receptor WYETH (US) 2009-05-12 US disclosed
US-7531542-B2 Benzooxazole and benzothiazole antagonists of gonadotropin releasing hormone receptor WYETH (US) 2009-05-12 US disclosed
US-7531542-B2 Benzooxazole and benzothiazole antagonists of gonadotropin releasing hormone receptor WYETH (US) 2009-05-12 US disclosed
US-20060264631-A1 Benzooxazole and benzothiazole antagonists of gonadotropin releasing hormone receptor WYETH (US) 2006-11-23 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-20060264631-A1 Benzooxazole and benzothiazole antagonists of gonadotropin releasing hormone receptor GNRHR, GHRHR, LHCGR CA1 1904/4885CA2 2306/4885RAB9A 4417/4885

“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.