SCHEMBL6402380

SCHEMBL6402380

Cc1ncccc1NC(=NC#N)NC(NC(=O)CCCc1cccs1)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.51
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CHEK1 O14757 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL6404272 1.00 P2RX7 (0.51) P2RX7LMNAKDM4EMEN1ALDH1A1
SCHEMBL6405704 0.89 P2RX7 (0.54) P2RX7LMNAMEN1ALDH1A1MAPT
SCHEMBL6405709 0.89 P2RX7 (0.54) P2RX7LMNAMEN1ALDH1A1MAPT
SCHEMBL6403636 0.84 P2RX7 (0.71) P2RX7MEN1ALDH1A1KMT2A
SCHEMBL6403633 0.84 P2RX7 (0.71) P2RX7MEN1ALDH1A1KMT2A
SCHEMBL6406856 0.83 P2RX7 (0.72) P2RX7ALDH1A1KMT2A
SCHEMBL6406850 0.83 P2RX7 (0.72) P2RX7ALDH1A1KMT2A
SCHEMBL6405658 0.77 P2RX7 (0.70) P2RX7
SCHEMBL6405660 0.77 P2RX7 (0.70) P2RX7
SCHEMBL6401859 0.77 P2RX7 (0.70) P2RX7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171195-A1 P2X7 antagonists for treating neuropathic pain ABBOTT LABORATORIES 2005-08-04 US claimed
US-20050171195-A1 P2X7 antagonists for treating neuropathic pain ABBOTT LABORATORIES 2005-08-04 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-20050171195-A1 P2X7 antagonists for treating neuropathic pain P2RX3, P2RX7, P2RX1 P2RX7 2/4885LMNA 3035/4885KDM4E 3084/4885

“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.