SCHEMBL6401890

SCHEMBL6401890

Cc1ccccc1NC(=NC#N)NC(NC(=O)CCCc1ccccc1)C(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.67
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX12 P18054 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
SCHEMBL6401885 1.00 P2RX7 (0.67) P2RX7POLBKMT2ASMN1; SMN2ALDH1A1
SCHEMBL6403100 0.91 P2RX7 (0.70) P2RX7KMT2AALDH1A1
SCHEMBL6403103 0.91 P2RX7 (0.70) P2RX7KMT2AALDH1A1
SCHEMBL6403633 0.86 P2RX7 (0.71) P2RX7KMT2AALDH1A1
SCHEMBL6403636 0.86 P2RX7 (0.71) P2RX7KMT2AALDH1A1
SCHEMBL6402362 0.83 P2RX7 (0.62) P2RX7KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6402351 0.83 P2RX7 (0.62) P2RX7KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6408756 0.81 P2RX7 (0.67) P2RX7ALOX12
SCHEMBL6405749 0.81 P2RX7 (0.67) P2RX7ALOX12
SCHEMBL6406822 0.80 P2RX7 (0.67) P2RX7

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 2/4885POLB 4769/4885KMT2A 4090/4885

“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.