SCHEMBL7678181

SCHEMBL7678181

CCOC(=O)c1[nH]c2ccccc2c1C(=O)N(CC)CC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.63
▸ TUBB4A P04350 2/20 0.58
▸ TUBB P07437 2/20 0.58
▸ TUBA3C P0DPH7 2/20 0.58
▸ TUBA1B P68363 2/20 0.58
▸ TUBA4A P68366 2/20 0.58
▸ TUBB4B P68371 2/20 0.58
▸ TUBB3 Q13509 2/20 0.58
▸ TUBB2A Q13885 2/20 0.58
▸ TUBB8 Q3ZCM7 2/20 0.58
▸ TUBA3E Q6PEY2 2/20 0.58
▸ TUBA1A Q71U36 2/20 0.58
▸ TUBA1C Q9BQE3 2/20 0.58
▸ TUBB6 Q9BUF5 2/20 0.58
▸ TUBB2B Q9BVA1 2/20 0.58
▸ TUBB1 Q9H4B7 2/20 0.58
▸ HTR6 P50406 2/20 0.57
▸ HTR1A P08908 1/20 0.57
▸ DRD2 P14416 1/20 0.57
▸ DRD4 P21917 1/20 0.57

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
SCHEMBL3276393 0.86 TUBB4A (0.67) GAATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7672077 0.83 TUBB4A (0.67) GAATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2341965 0.83 ALOX15 (0.67) GAATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16110074 0.81 TUBB4A (0.61) GAATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28431982 0.80 ALDH1A1 (0.62) GAAKDM4EPKMALDH1A1HSD17B10
SCHEMBL17616303 0.80 ALDH1A1 (0.63) GAATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7679911 0.80 GAA (0.53) GAAKDM4EALDH1A1MAPTMEN1
SCHEMBL7513888 0.79 TUBB4A (0.62) GAATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7412277 0.79 TUBB4A (0.58) GAATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2884840 0.79 ALDH1A1 (0.60) GAATUBB4ATUBBTUBA3CTUBA1B

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-20020091148-A1 3-substituted indole antiproliferative angiogenesis inhibitors ABBOTT LABORATORIES 2002-07-11 — — 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-20020091148-A1 3-substituted indole antiproliferative angiogenesis inhibitors MKI67, FLT4, IDO1 GAA 3668/4885TUBB4A 182/4885TUBB 346/4885

“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.

Send feedback