SCHEMBL17457463

SCHEMBL17457463

O=C(O)Nc1ccc(-c2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 9/20 0.69
ABCC1 P33527 8/20 0.69
KCNMA1 Q12791 2/20 0.69
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
HCAR3 P49019 1/20 0.54
APP P05067 1/20 0.51
NPC1 O15118 2/20 0.50
MAPK1 P28482 2/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 1/20 0.50
GLA P06280 1/20 0.50
CASP3 P42574 1/20 0.50
HTT P42858 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL17457465 1.00 ABCB1 (0.69) ABCB1ABCC1KCNMA1CRHBPCRHR2
SCHEMBL2645986 0.88 ABCB1 (0.66) ABCB1ABCC1KCNMA1CRHBPCRHR2
SCHEMBL25214665 0.88 ABCC1 (0.55) ABCB1ABCC1KCNMA1HCAR3MAPK1
SCHEMBL7467332 0.87 ABCB1 (0.55) ABCB1ABCC1KCNMA1HCAR3ALDH1A1
SCHEMBL22439814 0.85 ABCB1 (0.68) ABCB1ABCC1KCNMA1NPC1MAPK1
SCHEMBL7466534 0.85 ABCB1 (0.64) ABCB1ABCC1KCNMA1NPC1MAPT
SCHEMBL7462935 0.84 ABCB1 (0.52) ABCB1ABCC1KCNMA1HCAR3RAB9A
SCHEMBL2466950 0.84 ABCB1 (0.52) ABCB1ABCC1KCNMA1HCAR3APP
SCHEMBL29007522 0.84 ABCC1 (0.62) ABCB1ABCC1KCNMA1CRHBPCRHR2
SCHEMBL6587509 0.82 ABCC1 (0.59) ABCB1ABCC1KCNMA1CRHBPCRHR2

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 ABCB1 4084/4885ABCC1 4252/4885KCNMA1 3294/4885
US-20160022817-A1 Photoswitchable HDAC Inhibitors HDAC1, HDAC4, HDAC3 ABCB1 4500/4885ABCC1 4528/4885KCNMA1 3220/4885
US-20210162048-A1 Photoswitchable HDAC Inhibitors HDAC4, HDAC1, HDAC3 ABCB1 4084/4885ABCC1 4252/4885KCNMA1 3294/4885
US-11596691-B2 Photoswitchable HDAC inhibitors HDAC4, HDAC1, HDAC3 ABCB1 4084/4885ABCC1 4252/4885KCNMA1 3294/4885
US-10828367-B2 Photoswitchable HDAC inhibitors HDAC4, HDAC1, HDAC3 ABCB1 4084/4885ABCC1 4252/4885KCNMA1 3294/4885

“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.