SCHEMBL7129752

SCHEMBL7129752

COc1ccc(Cl)cc1-c1csc(Nc2cccc(-n3ccnc3)c2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.62
PSEN2 P49810 3/20 0.62
APH1B Q8WW43 3/20 0.62
NCSTN Q92542 3/20 0.62
APH1A Q96BI3 3/20 0.62
PSENEN Q9NZ42 3/20 0.62
ALOX5 P09917 1/20 0.53
CYP3A4 P08684 2/20 0.49
PTGS2 P35354 2/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
POLB P06746 1/20 0.47
CYP1A1 P04798 3/20 0.46
CYP1A2 P05177 3/20 0.46
CYP1B1 Q16678 3/20 0.46
MAPT P10636 2/20 0.46
VCP P55072 1/20 0.45
IDO1 P14902 1/20 0.45

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
Bromide SCHEMBL7129762 0.99 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7119104 0.83 ALOX5 (0.60) ALOX5CYP3A4PTGS2ALDH1A1MEN1
SCHEMBL7122127 0.82 RAB9A (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7120273 0.82 MAPT (0.63) ALOX5PTGS2ALDH1A1MEN1KMT2A
SCHEMBL7121402 0.79 CYP1A1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7117380 0.78 ALOX5 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10072680 0.77 MEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12297368 0.77 ALOX5 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1038192 0.77 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12297174 0.76 VCP (0.65) ALOX5CYP3A4PTGS2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030176454-A1 N-coating heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 US disclosed
WO-2001087845-A2 N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-22 WO 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-20030176454-A1 N-coating heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 PSEN1 3501/4885PSEN2 2073/4885APH1B 1389/4885

“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.