SCHEMBL6500321

SCHEMBL6500321

CSC1=N[C@@H](c2cccc(Cl)c2)[C@@H](c2cccc(Cl)c2)N1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 5/20 0.44
▸ PTGS2 P35354 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ MDM2 Q00987 1/20 0.37
▸ SLC9A1 P19634 4/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ GRM5 P41594 1/20 0.34

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
SCHEMBL6500326 1.00 P2RX7 (0.44) P2RX7PTGS2MAPTALDH1A1HPGD
SCHEMBL6500333 1.00 P2RX7 (0.44) P2RX7PTGS2MAPTALDH1A1HPGD
Iodide SCHEMBL3296051 0.99 P2RX7 (0.43) P2RX7PTGS2MAPTALDH1A1HPGD
Iodide SCHEMBL3296046 0.99 P2RX7 (0.43) P2RX7PTGS2MAPTALDH1A1HPGD
Iodide SCHEMBL3296044 0.99 P2RX7 (0.43) P2RX7PTGS2MAPTALDH1A1HPGD
SCHEMBL6497543 0.84 KMT2A (0.42) P2RX7PTGS2MAPTMEN1KMT2A
SCHEMBL6497546 0.84 KMT2A (0.42) P2RX7PTGS2MAPTMEN1KMT2A
SCHEMBL6497535 0.84 KMT2A (0.42) P2RX7PTGS2MAPTMEN1KMT2A
Iodide SCHEMBL3255284 0.82 KMT2A (0.41) P2RX7PTGS2MAPTMEN1KMT2A
Iodide SCHEMBL3255289 0.82 KMT2A (0.41) P2RX7PTGS2MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers AVENTIS PHARMACEUTICALS INC. (US) 2005-02-03 — — 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-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers P2RX3, P2RX2, P2RX5 P2RX7 5/4885PTGS2 493/4885MAPT 1996/4885

“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.

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