SCHEMBL16280467

SCHEMBL16280467

CCCCc1c(C)ccnc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 4/20 0.50
NOS3 P29474 3/20 0.44
SKP2 Q13309 1/20 0.38
MAPK1 P28482 3/20 0.36
NFKB1 P19838 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL7008513 0.78 NOS2 (0.52) NOS2NOS3SKP2MAPK1NFKB1
SCHEMBL28129531 0.77 NOS2 (0.50) NOS2NOS3SKP2MAPK1NFKB1
SCHEMBL8713672 0.77 NOS2 (0.82) NOS2NOS3SKP2TLR8TLR7
SCHEMBL28135505 0.72 TYR (0.42) NOS2MAPK1L3MBTL1ALDH1A1KMT2A
SCHEMBL25027836 0.72 NOS2 (0.45) NOS2NOS3SKP2MAPK1NFKB1
SCHEMBL27839140 0.71 NOS2 (0.43) NOS2NOS3SKP2MAPK1NFKB1
SCHEMBL21806238 0.70 NOS2 (0.77) NOS2NOS3RAB9ASMN1; SMN2ALDH1A1
SCHEMBL28052887 0.70 NOS2 (0.47) NOS2NOS3NPC1RAB9AL3MBTL1
SCHEMBL27672334 0.70 NOS2 (0.47) NOS2NOS3NPC1RAB9AL3MBTL1
SCHEMBL26177037 0.69 NOS2 (0.66) NOS2NOS3ALDH1A1KDM4ELMNA

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
US-10211414-B2 Phosphorescent tetradentate metal complexes having modified emission spectra ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2019-02-19 US disclosed
US-9899614-B2 Phosphorescent tetradentate metal complexes having modified emission spectra ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-02-20 US disclosed
US-20170331056-A1 PHOSPHORESCENT TETRADENTATE METAL COMPLEXES HAVING MODIFIED EMISSION SPECTRA ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2017-11-16 US disclosed
US-9673409-B2 Phosphorescent tetradentate metal complexes having modified emission spectra ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2017-06-06 US disclosed
US-20160285015-A1 PHOSPHORESCENT TETRADENTATE METAL COMPLEXES HAVING MODIFIED EMISSION SPECTRA ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2016-09-29 US disclosed
WO-2015027060-A1 PHOSPHORESCENT TETRADENTATE METAL COMPLEXES HAVING MODIFIED EMISSION SPECTRA ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2015-02-26 WO disclosed
US-20140364605-A1 PHOSPHORESCENT TETRADENTATE METAL COMPLEXES HAVING MODIFIED EMISSION SPECTRA ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2014-12-11 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 (3 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-20170331056-A1 PHOSPHORESCENT TETRADENTATE METAL COMPLEXES HAVING MODIFIED EMISSION SPECTRA AP2S1, PICALM, TRPC3 NOS2 4685/4885NOS3 4472/4885SKP2 1115/4885
US-10211414-B2 Phosphorescent tetradentate metal complexes having modified emission spectra AP2S1, PICALM, TRPC3 NOS2 4685/4885NOS3 4472/4885SKP2 1115/4885
US-20160285015-A1 PHOSPHORESCENT TETRADENTATE METAL COMPLEXES HAVING MODIFIED EMISSION SPECTRA OCIAD1, OCIAD2, OSGEP NOS2 3688/4885NOS3 3536/4885SKP2 2657/4885

“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.