SCHEMBL18530693

SCHEMBL18530693

O=C(NO)c1ccc2ccccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 1.00
ALDH1A1 P00352 4/20 0.71
MAPT P10636 2/20 0.71
GAA P10253 1/20 0.71
RAB9A P51151 8/20 0.67
SMN1; SMN2 Q16637 6/20 0.67
NFKB1 P19838 3/20 0.67
NFKB2 Q00653 3/20 0.67
RELA Q04206 3/20 0.67
MGAM O43451 1/20 0.63
KDM4C Q9H3R0 1/20 0.63
NPC1 O15118 7/20 0.59
TP53 P04637 3/20 0.59
HDAC1 Q13547 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59
KDM4E B2RXH2 1/20 0.59
TSHR P16473 1/20 0.59
HPGD P15428 3/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58

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
SCHEMBL7010475 1.00 HDAC8 (1.00) HDAC8ALDH1A1MAPTGAARAB9A
SCHEMBL13381527 0.86 HDAC8 (0.76) HDAC8ALDH1A1MAPTGAARAB9A
Imidazole SCHEMBL11403562 0.84 HDAC8 (0.70) HDAC8ALDH1A1MAPTGAARAB9A
SCHEMBL2551255 0.83 ALDH1A1 (1.00) HDAC8ALDH1A1MAPTGAARAB9A
SCHEMBL9839810 0.83 HDAC8 (0.71) HDAC8ALDH1A1MAPTGAARAB9A
Water SCHEMBL10373155 0.81 ALDH1A1 (0.96) HDAC8ALDH1A1MAPTGAARAB9A
SCHEMBL1131467 0.80 SMN1; SMN2 (1.00) HDAC8ALDH1A1MAPTGAARAB9A
SCHEMBL29291517 0.80 HDAC8 (0.67) HDAC8ALDH1A1MAPTGAARAB9A
SCHEMBL28483264 0.80 HDAC8 (0.67) HDAC8ALDH1A1MAPTGAARAB9A
SCHEMBL1343443 0.79 CNR2 (0.78) HDAC8ALDH1A1MAPTGAARAB9A

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 16 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 claimed
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 claimed
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 claimed
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 claimed
US-10359430-B2 2019-07-23 US claimed
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 claimed
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 claimed
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 claimed
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

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 HDAC8 1015/4885ALDH1A1 2729/4885MAPT 1493/4885
US-11408893-B2 Selective near-infrared optical imaging of necrotic cells and simultaneous cell fixing and counter staining with metallacrown complexes LITAF, CD68, CASP14 HDAC8 687/4885ALDH1A1 3661/4885MAPT 2338/4885
US-10458991-B2 Selective near-infrared optical imaging of necrotic cells and simultaneous cell fixing and counter staining with metallacrown complexes LITAF, CASP14, CD68 HDAC8 1015/4885ALDH1A1 2729/4885MAPT 1493/4885
US-10359430-B2 CD44, MMP16, CDC16 HDAC8 581/4885ALDH1A1 840/4885MAPT 2219/4885
US-20200064350-A1 SELECTIVE NEAR-INFRARED OPTICAL IMAGING OF NECROTIC CELLS AND SIMULTANEOUS CELL FIXING AND COUNTER STAINING WITH METALLACROWN COMPLEXES LITAF, CD68, CASP14 HDAC8 687/4885ALDH1A1 3661/4885MAPT 2338/4885

“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.