SCHEMBL4568231

SCHEMBL4568231

COc1ccc2c(Cc3nc(C(=O)O)cs3)c(-c3ccccc3)[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
PTGER1 P34995 1/20 0.48
ALDH1A1 P00352 4/20 0.48
TUBB4A P04350 3/20 0.48
TUBB P07437 3/20 0.48
TUBA3C P0DPH7 3/20 0.48
TUBA1B P68363 3/20 0.48
TUBA4A P68366 3/20 0.48
TUBB4B P68371 3/20 0.48
TUBB3 Q13509 3/20 0.48
TUBB2A Q13885 3/20 0.48
TUBB8 Q3ZCM7 3/20 0.48
TUBA3E Q6PEY2 3/20 0.48
TUBA1A Q71U36 3/20 0.48
TUBA1C Q9BQE3 3/20 0.48
TUBB6 Q9BUF5 3/20 0.48
TUBB2B Q9BVA1 3/20 0.48
TUBB1 Q9H4B7 3/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48

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
SCHEMBL3709879 0.90 MAPT (0.52) SMN1; SMN2ALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL15975191 0.86 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL4568562 0.84 TUBB4A (0.48) SMN1; SMN2ALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL4568552 0.83 ECE1 (0.43) SMN1; SMN2ALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL3702535 0.83 TUBB4A (0.48) SMN1; SMN2ALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL4568551 0.81 TUBB4A (0.51) SMN1; SMN2ALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL4568445 0.78 TUBB4A (0.44) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3704461 0.78 GPR17 (0.44) SMN1; SMN2ALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL3710191 0.78 PTGS2 (0.41) PTGER1ALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL4568458 0.77 TUBB4A (0.49) SMN1; SMN2ALDH1A1TUBB4ATUBBTUBA3C

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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R SMN1; SMN2 4661/4885PTGER1 1/4885ALDH1A1 422/4885

“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.