SCHEMBL4468028

SCHEMBL4468028

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HDAC1 Q13547 1/20 0.43
KCNK9 Q9NPC2 1/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC11 Q96DB2 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
ALOX12 P18054 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL4461629 0.83 CA1 (0.42) SMN1; SMN2MEN1KMT2AHDAC1KCNK9
SCHEMBL28914436 0.83 L3MBTL1 (0.49) KMT2AHDAC1RAB9ANPC1L3MBTL1
SCHEMBL4463757 0.82 HDAC1 (0.58) SMN1; SMN2MEN1KMT2AHDAC1KCNK9
SCHEMBL28329528 0.81 ALDH1A1 (0.52) SMN1; SMN2MEN1KMT2AHDAC1RAB9A
SCHEMBL28568265 0.79 HPGD (0.56) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL28470795 0.75 NPC1 (0.60) SMN1; SMN2MEN1KMT2AKCNK9HDAC8
SCHEMBL28294451 0.73 MEN1 (0.60) SMN1; SMN2MEN1KMT2AHDAC1KCNK9
SCHEMBL28582383 0.72 HPGD (0.49) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL28557009 0.71 NPC1 (0.58) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL9696735 0.70 NPC1 (0.64) SMN1; SMN2HDAC8HDAC6HDAC3HDAC11

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 SMN1; SMN2 4803/4885MEN1 2125/4885KMT2A 1257/4885

“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.