SCHEMBL5835008

SCHEMBL5835008

CCCNc1ccc(N)cc1-c1nc2cc(Br)cc(F)c2o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CEPT1 Q9Y6K0 1/20 0.37
HPSE Q9Y251 8/20 0.35
MAPT P10636 6/20 0.34
TP53 P04637 5/20 0.34
SMN1; SMN2 Q16637 5/20 0.34
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
KDM4E B2RXH2 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HSD17B10 Q99714 3/20 0.34
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 2/20 0.34
HPGD P15428 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
XBP1 P17861 1/20 0.34

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
SCHEMBL5834739 0.83 RIPK1 (0.41) CEPT1HPSEMAPTTP53KMT2A
SCHEMBL5834950 0.83 HPSE (0.37) HPSEMAPTTP53SMN1; SMN2NPC1
SCHEMBL5834639 0.81 MAPT (0.54) HPSEMAPTTP53SMN1; SMN2NPC1
SCHEMBL5834480 0.78 MAPT (0.42) HPSEMAPTTP53SMN1; SMN2NPC1
SCHEMBL5835038 0.78 HPSE (0.44) HPSEMAPTTP53SMN1; SMN2NPC1
SCHEMBL5834523 0.77 HPSE (0.49) HPSEMAPTTP53SMN1; SMN2NPC1
SCHEMBL5834517 0.75 HPSE (0.68) HPSE
SCHEMBL5835102 0.74 MAPT (0.47) HPSEMAPTTP53SMN1; SMN2NPC1
SCHEMBL5835529 0.74 RAB9A (0.55) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL5834442 0.74 HPSE (0.59) HPSEMAPTTP53SMN1; SMN2NPC1

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-7138425-B2 Phthalimide carboxylic acid derivatives OXFORD GLYCOSCIENCE (UK) LTD. (GB) 2006-11-21 US disclosed
US-20050203153-A1 Phthalimide carboxylic acid derivatives OXFORD GLYCOSCIENCE (UK) LTD. (GB) 2005-09-15 US disclosed
EP-1483261-A1 PHTHALIMIDE CARBOXYLIC ACID DERIVATIVES Oxford GlycoSciences (UK) Ltd, Attn: Mary Gadsden (GB) 2004-12-08 EP disclosed
WO-2003074516-A1 PHTHALIMIDE CARBOXYLIC ACID DERIVATIVES OXFORD GLYCOSCIENCES (UK) LTD (GB) 2003-09-12 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-20050203153-A1 Phthalimide carboxylic acid derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, IDH1 CEPT1 2136/4885HPSE 2626/4885MAPT 1342/4885

“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.