SCHEMBL7571682

SCHEMBL7571682

COc1ccc(Sc2ncccc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
P2RX7 Q99572 9/20 0.56
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ATM Q13315 1/20 0.47
EPHX2 P34913 1/20 0.46
HDAC11 Q96DB2 1/20 0.44

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
SCHEMBL7571707 0.89 P2RX7 (0.57) ALDH1A1P2RX7POLBSMN1; SMN2KMT2A
SCHEMBL7571586 0.86 P2RX7 (0.46) ALDH1A1P2RX7LMNAPOLBSMN1; SMN2
SCHEMBL7569262 0.86 P2RX7 (0.57) ALDH1A1P2RX7LMNAPOLBSMN1; SMN2
SCHEMBL7571514 0.85 ALDH1A1 (0.51) ALDH1A1P2RX7LMNAPOLBSMN1; SMN2
SCHEMBL7572059 0.82 P2RX7 (0.60) ALDH1A1P2RX7KMT2AMEN1
SCHEMBL7570015 0.77 P2RX7 (0.54) ALDH1A1P2RX7KMT2AMEN1
SCHEMBL7571525 0.76 P2RX7 (0.55) ALDH1A1P2RX7KMT2AMEN1
SCHEMBL3458610 0.76 P2RX7 (0.68) ALDH1A1P2RX7KMT2AMEN1
SCHEMBL7572957 0.75 RAB9A (0.48) ALDH1A1P2RX7LMNASMN1; SMN2KMT2A
SCHEMBL7572019 0.74 P2RX7 (0.62) ALDH1A1P2RX7KMT2AMEN1

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 11 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-20010003121-A1 Novel compounds ASTRAZENECA UK LIMITED 2001-06-07 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-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-0937042-A1 HETEROARYL SUCCINAMIDES AND THEIR USE AS METALLOPROTEINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1999-08-25 EP disclosed
WO-1998017643-A1 HETEROARYL SUCCINAMIDES AND THEIR USE AS METALLOPROTEINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1998-04-30 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 1215/4885P2RX7 311/4885LMNA 2103/4885

“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.