SCHEMBL17457464

SCHEMBL17457464

O=C(O)c1ccc(N=Nc2ccc(C(=O)NO)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.64
KMT2A Q03164 3/20 0.55
POLB P06746 2/20 0.55
MEN1 O00255 2/20 0.55
NPC1 O15118 1/20 0.55
HDAC1 Q13547 6/20 0.54
HDAC6 Q9UBN7 5/20 0.54
HDAC8 Q9BY41 4/20 0.54
HDAC2 Q92769 3/20 0.54
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA9 Q16790 2/20 0.54
HDAC3 O15379 1/20 0.54
IDO1 P14902 1/20 0.54
ALOX15 P16050 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HSD17B10 Q99714 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
MAPT P10636 2/20 0.53
ATM Q13315 1/20 0.53

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
SCHEMBL17457462 1.00 TRPA1 (0.64) TRPA1KMT2APOLBMEN1NPC1
SCHEMBL17457488 0.88 HDAC6 (0.65) TRPA1NPC1HDAC1HDAC6HDAC8
SCHEMBL17457487 0.88 HDAC6 (0.65) TRPA1NPC1HDAC1HDAC6HDAC8
SCHEMBL3550937 0.87 HDAC6 (0.68) HDAC1HDAC6HDAC8HDAC2CA12
SCHEMBL3364649 0.85 TRPA1 (0.86) TRPA1KMT2APOLBMEN1NPC1
SCHEMBL31702246 0.85 TRPA1 (0.86) TRPA1KMT2APOLBMEN1NPC1
SCHEMBL70162 0.85 TRPA1 (0.86) TRPA1KMT2APOLBMEN1NPC1
SCHEMBL70163 0.85 TRPA1 (0.86) TRPA1KMT2APOLBMEN1NPC1
SCHEMBL29163841 0.83 TRPA1 (0.82) TRPA1KMT2APOLBMEN1NPC1
SCHEMBL28611366 0.83 TRPA1 (0.82) TRPA1KMT2APOLBMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970107-B1 PHOTOSWITCHABLE HDAC INHIBITORS MASSACHUSETTS GEN HOSPITAL (US) 2023-11-15 EP disclosed
US-11596691-B2 Photoswitchable HDAC inhibitors THE GENERAL HOSPITAL CORPORATION (US) 2023-03-07 US disclosed
US-20210162048-A1 Photoswitchable HDAC Inhibitors THE GENERAL HOSPITAL CORPORATION 2021-06-03 US disclosed
US-10828367-B2 Photoswitchable HDAC inhibitors THE GENERAL HOSPITAL CORPORATION (US) 2020-11-10 US disclosed
US-20190070295-A1 Photoswitchable HDAC Inhibitors THE GENERAL HOSPITAL CORPORATION 2019-03-07 US disclosed
US-9981038-B2 Photoswitchable HDAC inhibitors THE GENERAL HOSPITAL CORPORATION (US) 2018-05-29 US disclosed
US-20160022817-A1 Photoswitchable HDAC Inhibitors THE GENERAL HOSPITAL CORPORATION (US) 2016-01-28 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 (5 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-20190070295-A1 Photoswitchable HDAC Inhibitors HDAC4, HDAC1, HDAC3 TRPA1 4179/4885KMT2A 34/4885POLB 1821/4885
US-20160022817-A1 Photoswitchable HDAC Inhibitors HDAC1, HDAC4, HDAC3 TRPA1 2139/4885KMT2A 32/4885POLB 2006/4885
US-20210162048-A1 Photoswitchable HDAC Inhibitors HDAC4, HDAC1, HDAC3 TRPA1 4179/4885KMT2A 34/4885POLB 1821/4885
US-11596691-B2 Photoswitchable HDAC inhibitors HDAC4, HDAC1, HDAC3 TRPA1 4179/4885KMT2A 34/4885POLB 1821/4885
US-10828367-B2 Photoswitchable HDAC inhibitors HDAC4, HDAC1, HDAC3 TRPA1 4179/4885KMT2A 34/4885POLB 1821/4885

“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.