SCHEMBL18530698

SCHEMBL18530698

O=C(Cc1ccc2ccccc2n1)NO

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 8/20 0.61
▸ HDAC2 Q92769 7/20 0.61
▸ CYP1A2 P05177 1/20 0.59
▸ PDE5A O76074 1/20 0.56
▸ PDE1A P54750 1/20 0.56
▸ PDE1B Q01064 1/20 0.56
▸ PDE1C Q14123 1/20 0.56
▸ HDAC8 Q9BY41 6/20 0.53
▸ HDAC6 Q9UBN7 5/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MMP3 P08254 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HDAC3 O15379 3/20 0.46
▸ HDAC4 P56524 3/20 0.46
▸ HDAC7 Q8WUI4 3/20 0.46
▸ HDAC9 Q9UKV0 3/20 0.46
▸ HDAC5 Q9UQL6 3/20 0.46

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
SCHEMBL18530694 1.00 HDAC1 (0.61) HDAC1HDAC2CYP1A2PDE5APDE1A
SCHEMBL3588078 0.83 HDAC1 (0.66) HDAC1HDAC2CYP1A2HDAC8HDAC6
SCHEMBL14805320 0.82 CYP1A2 (0.67) HDAC1HDAC2CYP1A2HDAC8ALDH1A1
Anthracene SCHEMBL10418182 0.81 ALDH1A1 (0.54) HDAC1HDAC2CYP1A2ALDH1A1GAA
SCHEMBL140815 0.80 CYP1A2 (0.65) CYP1A2ALDH1A1MEN1KMT2AGPBAR1
SCHEMBL5503169 0.79 CYP1A2 (0.63) HDAC1HDAC2CYP1A2ALDH1A1GAA
SCHEMBL4623799 0.79 CYP1A2 (0.68) HDAC1HDAC2CYP1A2ALDH1A1GAA
SCHEMBL7759109 0.79 CYP1A2 (0.63) HDAC1HDAC2CYP1A2ALDH1A1GAA
SCHEMBL29877127 0.79 CYP1A2 (0.63) HDAC1HDAC2CYP1A2ALDH1A1GAA
SCHEMBL7831767 0.79 HDAC1 (0.76) HDAC1HDAC2HDAC8HDAC6HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11408893-B2 Selective near-infrared optical imaging of necrotic cells and simultaneous cell fixing and counter staining with metallacrown complexes THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2022-08-09 — — US disclosed
US-20200064350-A1 SELECTIVE NEAR-INFRARED OPTICAL IMAGING OF NECROTIC CELLS AND SIMULTANEOUS CELL FIXING AND COUNTER STAINING WITH METALLACROWN COMPLEXES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-02-27 — — US disclosed
US-10458991-B2 Selective near-infrared optical imaging of necrotic cells and simultaneous cell fixing and counter staining with metallacrown complexes THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-10-29 — — US disclosed
EP-3335048-B1 SELECTIVE NEAR-INFRARED OPTICAL IMAGING OF NECROTIC CELLS AND SIMULTANEOUS CELL FIXING AND COUNTER STAINING WITH METALLACROWN COMPLEXES UNIV MICHIGAN REGENTS (US) 2019-09-18 — — EP disclosed
US-10359430-B2 — — 2019-07-23 — — US disclosed
US-20180238897-A1 SELECTIVE NEAR-INFRARED OPTICAL IMAGING OF NECROTIC CELLS AND SIMULTANEOUS CELL FIXING AND COUNTER STAINING WITH METALLACROWN COMPLEXES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-08-23 — — US disclosed
EP-3335048-A1 SELECTIVE NEAR-INFRARED OPTICAL IMAGING OF NECROTIC CELLS AND SIMULTANEOUS CELL FIXING AND COUNTER STAINING WITH METALLACROWN COMPLEXES The Regents of The University of Michigan (US) 2018-06-20 — — EP disclosed
WO-2017029242-A1 SELECTIVE NEAR-INFRARED OPTICAL IMAGING OF NECROTIC CELLS AND SIMULTANEOUS CELL FIXING AND COUNTER STAINING WITH METALLACROWN COMPLEXES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-02-23 — — WO disclosed
CN-105722848-A Metallacrown complexes and methods of making the same 美国密西根州立大学 2016-06-29 — — CN 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-20180238897-A1 SELECTIVE NEAR-INFRARED OPTICAL IMAGING OF NECROTIC CELLS AND SIMULTANEOUS CELL FIXING AND COUNTER STAINING WITH METALLACROWN COMPLEXES LITAF, CASP14, CD68 HDAC1 519/4885HDAC2 1380/4885CYP1A2 4700/4885
US-11408893-B2 Selective near-infrared optical imaging of necrotic cells and simultaneous cell fixing and counter staining with metallacrown complexes LITAF, CD68, CASP14 HDAC1 290/4885HDAC2 871/4885CYP1A2 4852/4885
US-10458991-B2 Selective near-infrared optical imaging of necrotic cells and simultaneous cell fixing and counter staining with metallacrown complexes LITAF, CASP14, CD68 HDAC1 519/4885HDAC2 1380/4885CYP1A2 4700/4885
US-10359430-B2 — CD44, MMP16, CDC16 HDAC1 175/4885HDAC2 756/4885CYP1A2 3917/4885
US-20200064350-A1 SELECTIVE NEAR-INFRARED OPTICAL IMAGING OF NECROTIC CELLS AND SIMULTANEOUS CELL FIXING AND COUNTER STAINING WITH METALLACROWN COMPLEXES LITAF, CD68, CASP14 HDAC1 290/4885HDAC2 871/4885CYP1A2 4852/4885

“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.

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