SCHEMBL5322690

SCHEMBL5322690

Brc1cccc(-c2cscn2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
HK1 P19367 1/20 0.54
HKDC1 Q2TB90 1/20 0.54
SCN9A Q15858 1/20 0.49
IDO1 P14902 2/20 0.47
METAP2 P50579 1/20 0.47
KAT6A Q92794 1/20 0.44
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
BIRC5 O15392 1/20 0.41
NPC1 O15118 3/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL30989356 0.79 SCN9A (0.51) ALDH1A1SCN9AIDO1METAP2KAT6A
SCHEMBL2789456 0.79 HSD17B1 (0.58) SCN9AMETAP2KAT6A
SCHEMBL1879703 0.79 TSHR (0.51) RAB9AALDH1A1MAPTHPGDHK1
SCHEMBL4518536 0.79 CYP19A1 (0.50) SCN9AIDO1METAP2KAT6A
SCHEMBL10151028 0.79 SCN9A (0.51) ALDH1A1SCN9AIDO1METAP2KAT6A
SCHEMBL7389467 0.79 SCN9A (0.48) RAB9AALDH1A1MAPTHPGDHK1
SCHEMBL4524263 0.79 KDM4E (0.53) ALDH1A1MAPTSCN9AIDO1METAP2
SCHEMBL30042796 0.79 CYP19A1 (0.50) SCN9AIDO1METAP2KAT6A
SCHEMBL28301620 0.79 SCN9A (0.45) RAB9AALDH1A1MAPTHPGDHK1
SCHEMBL22306579 0.78 SCN9A (0.50) MAPTSCN9AKAT6AEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007108566-A1 PAIN-RELIEVING COMPOSITION EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2007-09-27 WO claimed
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. 2013-03-07 US disclosed
US-20100168106-A1 Amino-5-(5-membered)heteroarylimidazolone Compounds And The Use Thereof For Beta-secretase Modulation WYETH LLC (US) 2010-07-01 US disclosed
US-7705030-B2 Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for β-secretase modulation WYETH LLC (US) 2010-04-27 US disclosed
US-20080306091-A1 AMINO-5-(5-MEMBERED)HETERO-ARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR beta-SECRETASE MODULATION WYETH (US) 2008-12-11 US disclosed
US-7417047-B2 Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for β-secretase modulation WYETH (US) 2008-08-26 US disclosed
WO-2007108566-A1 PAIN-RELIEVING COMPOSITION EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2007-09-27 WO disclosed
WO-2007005366-A1 AMlNO-5-(5-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR β-SECRETASE MODULATION WYETH (US) 2007-01-11 WO disclosed
US-20070004786-A1 Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for beta-secretase modulation WYETH (US) 2007-01-04 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 (4 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-20070004786-A1 Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for beta-secretase modulation BACE1, BACE2, APP RAB9A 1886/4885ALDH1A1 2693/4885MAPT 23/4885
US-20080306091-A1 AMINO-5-(5-MEMBERED)HETERO-ARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR beta-SECRETASE MODULATION BACE1, BACE2, APP RAB9A 1886/4885ALDH1A1 2693/4885MAPT 23/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 RAB9A 2306/4885ALDH1A1 968/4885MAPT 568/4885
US-20100168106-A1 Amino-5-(5-membered)heteroarylimidazolone Compounds And The Use Thereof For Beta-secretase Modulation BACE1, BACE2, APP RAB9A 1731/4885ALDH1A1 3365/4885MAPT 20/4885

“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.