SCHEMBL7569262

SCHEMBL7569262

COc1ccc(OC)c(Sc2ncccc2C(=O)NCC23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.57
LMNA P02545 2/20 0.50
HDAC11 Q96DB2 1/20 0.49
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
EPHX2 P34913 1/20 0.43
HPGD P15428 1/20 0.42
MAPK8 P45983 1/20 0.42

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
SCHEMBL7570515 0.88 P2RX7 (0.47) P2RX7LMNAHDAC11ALDH1A1MEN1
SCHEMBL7571682 0.86 ALDH1A1 (0.60) P2RX7LMNAHDAC11ALDH1A1POLB
SCHEMBL7570015 0.79 P2RX7 (0.54) P2RX7ALDH1A1MEN1KMT2A
SCHEMBL7572059 0.78 P2RX7 (0.60) P2RX7ALDH1A1MEN1KMT2AHPGD
SCHEMBL7571707 0.77 P2RX7 (0.57) P2RX7ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL7571525 0.77 P2RX7 (0.55) P2RX7ALDH1A1MEN1KMT2A
SCHEMBL6512467 0.76 ALDH1A1 (0.60) LMNAALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL7571586 0.76 P2RX7 (0.46) P2RX7LMNAALDH1A1POLBSMN1; SMN2
SCHEMBL7571514 0.74 ALDH1A1 (0.51) P2RX7LMNAHDAC11ALDH1A1POLB
SCHEMBL6084569 0.74 P2RX7 (1.00) P2RX7HDAC11ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1036059-B1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LTD (GB) 2002-09-18 EP claimed
US-6303659-B2 Compounds ASTRAZENECA AB (SE) 2001-10-16 US claimed
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 claimed
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
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

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 P2RX7 311/4885LMNA 2103/4885HDAC11 4102/4885

“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.