SCHEMBL5835102

SCHEMBL5835102

CCCNc1ccc(N)cc1-c1nc2cc3ccccc3cc2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.47
SMN1; SMN2 Q16637 11/20 0.47
RAB9A P51151 10/20 0.47
TP53 P04637 9/20 0.47
NPC1 O15118 8/20 0.47
KDM4E B2RXH2 7/20 0.47
HSD17B10 Q99714 5/20 0.47
TSHR P16473 2/20 0.47
ALDH1A1 P00352 8/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
HPGD P15428 5/20 0.46
GAA P10253 4/20 0.45
ALOX15 P16050 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
HTT P42858 2/20 0.45
HPSE Q9Y251 6/20 0.44
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 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
SCHEMBL5834258 0.85 HPSE (0.59) MAPTSMN1; SMN2RAB9ATP53NPC1
SCHEMBL5834551 0.85 RAB9A (0.57) MAPTSMN1; SMN2RAB9ATP53NPC1
SCHEMBL5834529 0.84 MAPT (0.47) MAPTSMN1; SMN2RAB9ATP53NPC1
SCHEMBL5834639 0.84 MAPT (0.54) MAPTSMN1; SMN2RAB9ATP53NPC1
SCHEMBL5834484 0.84 MAPT (0.54) MAPTSMN1; SMN2RAB9ATP53NPC1
SCHEMBL5834523 0.84 HPSE (0.49) MAPTSMN1; SMN2RAB9ATP53NPC1
SCHEMBL5834742 0.83 HPSE (0.47) MAPTSMN1; SMN2RAB9ATP53NPC1
SCHEMBL5835529 0.83 RAB9A (0.55) MAPTSMN1; SMN2RAB9ATP53NPC1
SCHEMBL5834173 0.82 RAB9A (0.46) MAPTSMN1; SMN2RAB9ATP53NPC1
SCHEMBL5835038 0.82 HPSE (0.44) MAPTSMN1; SMN2RAB9ATP53NPC1

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 MAPT 1342/4885SMN1; SMN2 3147/4885RAB9A 1209/4885

“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.