SCHEMBL4476444

SCHEMBL4476444

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.60
NPC1 O15118 2/20 0.60
ALDH1A1 P00352 1/20 0.60
GLA P06280 1/20 0.60
ATM Q13315 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
DHPS P49366 3/20 0.56
KDM4E B2RXH2 1/20 0.56
POLB P06746 1/20 0.56
NR1H4 Q96RI1 5/20 0.55
PABPC1 P11940 1/20 0.54
EIF4H Q15056 1/20 0.54
GAA P10253 1/20 0.54
MAPK1 P28482 1/20 0.54
MAPT P10636 1/20 0.53

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
SCHEMBL3288511 0.88 RAB9A (0.68) RAB9ANPC1ALDH1A1GLAATM
SCHEMBL1041220 0.87 RAB9A (0.64) RAB9ANPC1ALDH1A1GLAATM
SCHEMBL4461629 0.84 CA1 (0.42) RAB9ANPC1ALDH1A1GLAATM
SCHEMBL15956479 0.83 RAB9A (0.55) RAB9ANPC1ALDH1A1GLAATM
SCHEMBL15964587 0.83 SMN1; SMN2 (0.55) RAB9ANPC1ALDH1A1GLAATM
SCHEMBL4463757 0.83 HDAC1 (0.58) RAB9ANPC1ALDH1A1GLAATM
SCHEMBL15952997 0.82 NPC1 (0.57) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL29221018 0.81 PDCD1 (0.48) RAB9ANPC1CA1CA2MEN1
SCHEMBL5223315 0.79 RAB9A (0.73) RAB9ANPC1ALDH1A1GLAATM
SCHEMBL15956089 0.78 RAB9A (0.49) RAB9ANPC1ALDH1A1GLAATM

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 RAB9A 4417/4885NPC1 4025/4885ALDH1A1 4164/4885

“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.