SCHEMBL6512467

SCHEMBL6512467

COc1ccc(OC)c(Sc2ncccc2C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
HPGD P15428 1/20 0.60
LMNA P02545 3/20 0.56
PKM P14618 2/20 0.52
TDP1 Q9NUW8 1/20 0.51
RAB9A P51151 2/20 0.50
KDM4E B2RXH2 2/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 2/20 0.47
MAPK1 P28482 1/20 0.47
NPC1 O15118 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
EGLN1 Q9GZT9 1/20 0.45
POLB P06746 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
SCHEMBL7426099 0.78 KDM4E (0.53) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL7569262 0.76 P2RX7 (0.57) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL17622906 0.75 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL24529766 0.75 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL17603618 0.74 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL9183952 0.73 EGLN1 (0.57) ALDH1A1PKMGAASMN1; SMN2EGLN1
SCHEMBL9869842 0.72 KMT2A (0.68) ALDH1A1MEN1KMT2AHPGDPKM
SCHEMBL2782132 0.71 MAPK8 (0.53) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL9487582 0.71 CA12 (0.60) ALDH1A1MEN1KMT2AHTTMAPK1
SCHEMBL38663217 0.71 CA12 (0.60) ALDH1A1MEN1KMT2AHTTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6953798-B1 β-alanine derivates CELLTECH R&D LIMITED (GB) 2005-10-11 US disclosed
EP-1036059-B1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LTD (GB) 2002-09-18 EP disclosed
US-6303659-B2 Compounds ASTRAZENECA AB (SE) 2001-10-16 US disclosed
EP-1135371-A1 BETA-ALANINE DERIVATIVES AS ALPHA 4 INTEGRIN INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 2001-09-26 EP disclosed
US-6258838-B1 Compounds ASTRAZENECA AB (SE) 2001-07-10 US disclosed
US-20010003121-A1 Novel compounds ASTRAZENECA UK LIMITED 2001-06-07 US disclosed
US-6201024-B1 EFFECTIVE P2X7 RECEPTOR ANTAGONISTS FOR USE IN THE TREATMENT OF INFLAMMATORY, IMMUNE OR CARDIOVASCULAR DISORDERS ASTRAZENECA UK LIMITED (GB) 2001-03-13 US disclosed
EP-1036059-A1 ADAMANTANE DERIVATIVES AstraZeneca UK Limited (GB) 2000-09-20 EP disclosed
WO-2000032575-A1 β-ALANINE DERIVATIVES AS α4 INTEGRIN INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 2000-06-08 WO disclosed
WO-1999029661-A1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 1999-06-17 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-20010003121-A1 Novel compounds APP, BACE1, CHRNA5 ALDH1A1 1215/4885MEN1 1930/4885KMT2A 4437/4885

“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.