SCHEMBL4428406

SCHEMBL4428406

O=[N+]([O-])C=Cc1c2ccccc2cc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.59
MAPT P10636 3/20 0.54
NPSR1 Q6W5P4 3/20 0.54
LMNA P02545 2/20 0.54
HPGD P15428 2/20 0.54
NPC1 O15118 1/20 0.54
HTT P42858 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP3A4 P08684 1/20 0.53
FBP1 P09467 7/20 0.50
HSP90AA1 P07900 2/20 0.50
MAPK1 P28482 2/20 0.50
CYP2D6 P10635 2/20 0.50
IDO1 P14902 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
MITF O75030 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL20338596 1.00 RXRA (0.59) RXRAMAPTNPSR1LMNAHPGD
SCHEMBL20563977 0.84 RXRA (0.50) RXRAMAPTNPSR1LMNAHPGD
SCHEMBL20563980 0.84 RXRA (0.50) RXRAMAPTNPSR1LMNAHPGD
SCHEMBL21831542 0.80 RXRA (0.57) RXRAMAPTNPSR1LMNAHPGD
SCHEMBL21831540 0.80 RXRA (0.57) RXRAMAPTNPSR1LMNAHPGD
SCHEMBL28510880 0.80 ERN1 (0.57) RXRAMAPTNPSR1LMNAHPGD
SCHEMBL28510879 0.80 ERN1 (0.57) RXRAMAPTNPSR1LMNAHPGD
SCHEMBL8909959 0.77 CYP2D6 (0.49) MAPTNPSR1LMNAHPGDHTT
SCHEMBL8909951 0.77 CYP2D6 (0.49) MAPTNPSR1LMNAHPGDHTT
SCHEMBL20564292 0.76 RXRA (0.66) RXRAMAPTNPSR1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180187190-A1 NEW CRISPR ASSAYS ERASMUS UNIVERSITY MEDICAL CENTER ROTTERDAM (NL) 2018-07-05 US disclosed
US-9089572-B2 Inhibitors of p97 CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-07-28 US disclosed
CN-104311426-A New application of aromatic nitroethylene compound UNIV XIAMEN 2015-01-28 CN disclosed
US-20090253717-A1 Inhibitors of p97 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-10-08 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 (1 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-20090253717-A1 Inhibitors of p97 TMEM97, CDC37, HSP90B1 RXRA 3356/4885MAPT 2161/4885NPSR1 4581/4885

“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.