SCHEMBL16995081

SCHEMBL16995081

Cc1ncsc1C(C#N)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.46
▸ P2RX7 Q99572 8/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ ACHE P22303 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ AR P10275 1/20 0.33
▸ HPGD P15428 1/20 0.31
▸ KHK P50053 1/20 0.31

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
SCHEMBL20036442 0.83 ALDH1A1 (0.44) ALDH1A1P2RX7SMN1; SMN2ACHEL3MBTL1
SCHEMBL17001569 0.82 P2RX7 (0.44) ALDH1A1P2RX7SMN1; SMN2ACHEL3MBTL1
SCHEMBL19940615 0.81 ALDH1A1 (0.43) ALDH1A1P2RX7SMN1; SMN2ACHEL3MBTL1
SCHEMBL16995063 0.81 P2RX7 (0.47) P2RX7
SCHEMBL18371701 0.79 P2RX7 (0.49) P2RX7
SCHEMBL16995079 0.77 P2RX7 (0.37) P2RX7
SCHEMBL17001547 0.75 P2RX7 (0.57) P2RX7AR
SCHEMBL18371689 0.75 P2RX7 (0.46) P2RX7
SCHEMBL16995066 0.74 P2RX7 (0.56) P2RX7AR
SCHEMBL17001572 0.74 P2RX7 (0.53) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10167281-B2 Substituted thiazole or oxazole P2X7 receptor antagonists AXXAM S.P.A. (IT) 2019-01-01 — — US disclosed
EP-3102573-B1 SUBSTITUTED THIAZOLE OR OXAZOLE P2X7 RECEPTOR ANTAGONISTS AXXAM SPA (IT) 2018-04-11 — — EP disclosed
US-20170283409-A1 SUBSTITUTED THIAZOLE OR OXAZOLE P2X7 RECEPTOR ANTAGONISTS AXXAM S.P.A. (IT) 2017-10-05 — — US disclosed
US-20170283409-A1 SUBSTITUTED THIAZOLE OR OXAZOLE P2X7 RECEPTOR ANTAGONISTS AXXAM S.P.A. (IT) 2017-10-05 — — US disclosed
US-9718812-B2 Substituted thiazole or oxazole P2X7 receptor antagonists AXXAM S.P.A. (IT) 2017-08-01 — — US disclosed
US-9718812-B2 Substituted thiazole or oxazole P2X7 receptor antagonists AXXAM S.P.A. (IT) 2017-08-01 — — US disclosed
US-20170008883-A1 SUBSTITUTED THIAZOLE OR OXAZOLE P2X7 RECEPTOR ANTAGONISTS AXXAM S.P.A. (IT) 2017-01-12 — — US disclosed
WO-2015118019-A9 SUBSTITUTED THIAZOLE OR OXAZOLE P2X7 RECEPTOR ANTAGONISTS AXXAM S.P.A. (IT) 2016-04-21 — — WO disclosed
WO-2015118019-A1 SUBSTITUTED THIAZOLE OR OXAZOLE P2X7 RECEPTOR ANTAGONISTS AXXAM S.P.A. (IT) 2015-08-13 — — WO disclosed
EP-2905282-A1 Substituted thiazole or oxazole as P2X7 receptor antagonists AXXAM S.p.A. (IT) 2015-08-12 — — EP 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 (3 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-10167281-B2 Substituted thiazole or oxazole P2X7 receptor antagonists P2RX7, P2RX1, P2RX2 ALDH1A1 1516/4885P2RX7 1/4885SMN1; SMN2 3527/4885
US-20170283409-A1 SUBSTITUTED THIAZOLE OR OXAZOLE P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX1, P2RX2 ALDH1A1 1516/4885P2RX7 1/4885SMN1; SMN2 3527/4885
US-20170008883-A1 SUBSTITUTED THIAZOLE OR OXAZOLE P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX1, P2RX2 ALDH1A1 1523/4885P2RX7 1/4885SMN1; SMN2 3564/4885

“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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