SCHEMBL20201237

SCHEMBL20201237

COc1ccc(-n2cccc2)cc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40
TUBB2A Q13885 2/20 0.40
TUBB8 Q3ZCM7 2/20 0.40
TUBA3E Q6PEY2 2/20 0.40
TUBA1A Q71U36 2/20 0.40
TUBA1C Q9BQE3 2/20 0.40
TUBB6 Q9BUF5 2/20 0.40
TUBB2B Q9BVA1 2/20 0.40
TUBB1 Q9H4B7 2/20 0.40
HSD17B10 Q99714 3/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.39

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
SCHEMBL28178665 0.82 CYP1A2 (0.51) ALDH1A1SMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL2094826 0.79 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL20201236 0.78 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL9042497 0.76 P2RX7 (0.42) ALDH1A1SMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL18292143 0.75 NOTUM (0.45) ALDH1A1HPGDCYP1A2KDM4EMAPT
SCHEMBL2006792 0.74 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL5323825 0.73 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL21167298 0.71 LMNA (0.41) ALDH1A1SMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL7830164 0.71 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL10430351 0.70 TUBB4A (0.51) ALDH1A1SMN1; SMN2TUBB4ATUBBTUBA3C

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-20180148414-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2018-05-31 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-20180148414-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES PPOX, AOC2, AOC3 ALDH1A1 495/4885SMN1; SMN2 4719/4885TUBB4A 2593/4885

“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.