SCHEMBL2425763

SCHEMBL2425763

CCOC(OCC)c1ccn(C)c(=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.41
ACHE P22303 7/20 0.41
BCHE P06276 6/20 0.39
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35
TUBB2B Q9BVA1 1/20 0.35
TUBB1 Q9H4B7 1/20 0.35
PKM P14618 1/20 0.34
HDAC6 Q9UBN7 2/20 0.33

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
SCHEMBL25884992 0.75 HDAC4 (0.45) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL799134 0.74 PTGS2 (0.39) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL21983488 0.72 HDAC6 (0.33) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL21138968 0.72 PTGS2 (0.38) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL22214088 0.71 PTGS2 (0.37) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL19002518 0.71 TUBB4A (0.38) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL17981958 0.71 PTGS2 (0.37) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL18515684 0.70 PTGS2 (0.44) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL20832598 0.69 PRMT5 (0.36) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL20832743 0.69 PRMT5 (0.36) PTGS2TUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2374802-B1 KYNURENINE PRODUCTION INHIBITOR KYOWA HAKKO KIRIN CO LTD (JP) 2014-04-23 EP disclosed
US-8673908-B2 Kynurenine production inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-03-18 US disclosed
EP-2374802-A1 KYNURENINE PRODUCTION INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2011-10-12 EP disclosed
US-20110237584-A1 KYNURENINE PRODUCTION INHIBITOR KYOWA KIRIN CO., LTD. (JP) 2011-09-29 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-20110237584-A1 KYNURENINE PRODUCTION INHIBITOR KYNU, KMO, IDO1 PTGS2 934/4885ACHE 1075/4885BCHE 1589/4885

“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.