SCHEMBL13445652

SCHEMBL13445652

[3H]c1cn(C)c2cccc(OC)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.45
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 1/20 0.43
TUBB2B Q9BVA1 1/20 0.43
TUBB1 Q9H4B7 1/20 0.43
HTR2C P28335 1/20 0.42
HTR6 P50406 2/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL347727 0.83 RHEB (0.62) RHEBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29989576 0.83 RHEB (0.62) RHEBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12309486 0.76 ALDH1A1 (0.41) RHEBHTR2CKDM4EALDH1A1MAPT
SCHEMBL12309485 0.74 HTR2C (0.42) RHEBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7964114 0.71 RHEB (0.77) RHEBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9450285 0.68 RHEB (0.49) RHEBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1137750 0.67 RHEB (0.55) RHEBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL22810542 0.67 HTR2C (0.51) RHEBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28682498 0.67 HTR2C (0.51) RHEBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5216668 0.67 HTR2C (0.55) RHEBTUBB4ATUBBTUBA3CTUBA1B

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-20100056521-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 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-20100056521-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, DAO, TDO2 RHEB 4662/4885TUBB4A 4058/4885TUBB 3618/4885

“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.