SCHEMBL7712651

SCHEMBL7712651

NOC(=O)/C=C/c1cccc2[nH]ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.47
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43
TUBB4B P68371 2/20 0.43
TUBB3 Q13509 2/20 0.43
TUBB2A Q13885 2/20 0.43
TUBB8 Q3ZCM7 2/20 0.43
TUBA3E Q6PEY2 2/20 0.43
TUBA1A Q71U36 2/20 0.43
TUBA1C Q9BQE3 2/20 0.43
TUBB6 Q9BUF5 2/20 0.43
TUBB2B Q9BVA1 2/20 0.43
TUBB1 Q9H4B7 2/20 0.43
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
S1PR5 Q9H228 1/20 0.41

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
SCHEMBL12121400 0.85 TUBB4A (0.48) PARP1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1324190 0.85 TUBB4A (0.48) PARP1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1323738 0.85 TUBB4A (0.48) PARP1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL18783873 0.82 MAPT (0.56) PARP1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL19216716 0.82 S1PR4 (0.44) PARP1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1322730 0.81 PARP1 (0.68) PARP1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30285555 0.81 PARP1 (0.68) PARP1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1322729 0.81 PARP1 (0.68) PARP1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2511478 0.78 HDAC6 (0.59) PARP1S1PR4S1PR1S1PR3S1PR5
SCHEMBL2511476 0.78 HDAC6 (0.59) PARP1S1PR4S1PR1S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9598364-B2 Indolyl or indolinyl hydroxamate compounds TAIPEI MEDICAL UNIVERSITY (TW) 2017-03-21 US disclosed
US-20140364477-A1 INDOLYL OR INDOLINYL HYDROXAMATE COMPOUNDS TAIPEI MEDICAL UNIVERSITY (TW) 2014-12-11 US disclosed
US-8846748-B2 Indolyl or indolinyl hydroxamate compounds TAIPEI MEDICAL UNIVERSITY (TW) 2014-09-30 US disclosed
WO-2011126821-A2 INDOLYL OR INDOLINYL HYDROXAMATE COMPOUNDS TAIPEI MEDICAL UNIVERSITY (TW) 2011-10-13 WO disclosed
US-20110245315-A1 INDOLYL OR INDOLINYL HYDROXAMATE COMPOUNDS TAIPEI MEDICAL UNIVERSITY (TW) 2011-10-06 US disclosed
US-20110245315-A1 INDOLYL OR INDOLINYL HYDROXAMATE COMPOUNDS TAIPEI MEDICAL UNIVERSITY (TW) 2011-10-06 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 (2 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-20110245315-A1 INDOLYL OR INDOLINYL HYDROXAMATE COMPOUNDS IDH3A, IDH2, IDH3B PARP1 249/4885TUBB4A 726/4885TUBB 483/4885
US-20140364477-A1 INDOLYL OR INDOLINYL HYDROXAMATE COMPOUNDS IDH3A, IDH2, IDH3B PARP1 249/4885TUBB4A 726/4885TUBB 483/4885

“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.