SCHEMBL4463757

SCHEMBL4463757

CC(C)(C)c1ccc(C(=O)Nc2c(Br)cccc2Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.58
HDAC8 Q9BY41 3/20 0.57
HDAC6 Q9UBN7 3/20 0.57
HDAC3 O15379 2/20 0.57
HDAC11 Q96DB2 1/20 0.57
KCNK9 Q9NPC2 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
ALDH1A1 P00352 1/20 0.53
GLA P06280 1/20 0.53
ATM Q13315 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
TRPV1 Q8NER1 1/20 0.51
KCNK3 O14649 1/20 0.51
TP53 P04637 2/20 0.51

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
SCHEMBL7302645 0.85 HDAC1 (0.56) HDAC1HDAC8HDAC6HDAC3HDAC11
SCHEMBL4476444 0.83 RAB9A (0.60) HDAC1HDAC8HDAC6HDAC3HDAC11
SCHEMBL4468028 0.82 SMN1; SMN2 (0.43) HDAC1HDAC8HDAC6HDAC3HDAC11
SCHEMBL3288511 0.82 RAB9A (0.68) HDAC1HDAC8HDAC6HDAC3HDAC11
SCHEMBL1041220 0.81 RAB9A (0.64) HDAC1HDAC8HDAC6HDAC3HDAC11
SCHEMBL7301820 0.81 SMN1; SMN2 (0.61) HDAC1HDAC8HDAC6HDAC3HDAC11
SCHEMBL7294803 0.81 KCNK9 (0.58) HDAC1HDAC8HDAC6HDAC3HDAC11
SCHEMBL22085391 0.80 KMT2A (0.59) HDAC1HDAC8HDAC6HDAC3KCNK9
SCHEMBL7292242 0.80 RAB9A (0.69) HDAC1HDAC8HDAC6HDAC3HDAC11
SCHEMBL22085408 0.79 RXFP1 (0.59) HDAC1HDAC8HDAC6MEN1KMT2A

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 HDAC1 619/4885HDAC8 514/4885HDAC6 1624/4885

“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.