SCHEMBL20194015

SCHEMBL20194015

O=C(Nc1ccccc1)c1ccc(/N=N/c2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.67
HDAC2 Q92769 2/20 0.65
HDAC8 Q9BY41 1/20 0.65
HDAC6 Q9UBN7 1/20 0.65
MAPT P10636 4/20 0.63
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
HTT P42858 2/20 0.63
RAB9A P51151 4/20 0.61
NPC1 O15118 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
TRPA1 O75762 1/20 0.60
MAPK1 P28482 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
POLB P06746 2/20 0.59
SIRT1 Q96EB6 1/20 0.59
KDM4E B2RXH2 1/20 0.59
KCNK3 O14649 1/20 0.56
KCNK9 Q9NPC2 1/20 0.56
CASP3 P42574 1/20 0.56

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
SCHEMBL17472006 1.00 PTPN1 (0.67) PTPN1HDAC2HDAC8HDAC6MAPT
SCHEMBL14130013 0.96 MAPT (0.68) PTPN1HDAC2HDAC8HDAC6MAPT
SCHEMBL30963829 0.93 MAPT (0.72) PTPN1MAPTMEN1KMT2AHTT
SCHEMBL1985170 0.91 MAPT (0.69) PTPN1MAPTMEN1KMT2AHTT
SCHEMBL14130392 0.88 PTPN1 (0.72) PTPN1MAPTMEN1KMT2AHTT
SCHEMBL14130163 0.87 MEN1 (0.70) PTPN1HDAC2HDAC8HDAC6MAPT
SCHEMBL1315526 0.86 PTPN1 (0.87) PTPN1HDAC2HDAC8HDAC6MEN1
SCHEMBL9157485 0.85 PTPN1 (0.67) PTPN1HDAC2HDAC8HDAC6MEN1
SCHEMBL14130010 0.84 KMT2A (0.81) PTPN1HDAC2HDAC8HDAC6MAPT
SCHEMBL14715847 0.84 PTPN1 (0.84) PTPN1HDAC2HDAC8HDAC6MAPT

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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 PTPN1 2984/4885HDAC2 7/4885HDAC8 4/4885
US-20210162048-A1 Photoswitchable HDAC Inhibitors HDAC4, HDAC1, HDAC3 PTPN1 2984/4885HDAC2 7/4885HDAC8 4/4885
US-11596691-B2 Photoswitchable HDAC inhibitors HDAC4, HDAC1, HDAC3 PTPN1 2984/4885HDAC2 7/4885HDAC8 4/4885
US-10828367-B2 Photoswitchable HDAC inhibitors HDAC4, HDAC1, HDAC3 PTPN1 2984/4885HDAC2 7/4885HDAC8 4/4885

“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.