SCHEMBL6136923

SCHEMBL6136923

NCCCNC(=O)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccccc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.55
RORC P51449 6/20 0.48
P2RY14 Q15391 2/20 0.45
OPRD1 P41143 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
RARG P13631 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MALT1 Q9UDY8 1/20 0.44
EPHX2 P34913 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
SCN9A Q15858 1/20 0.43
MAPK1 P28482 1/20 0.43
HPGD P15428 1/20 0.42

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
SCHEMBL6136872 0.89 RORC (0.47) MAPK8RORCRARGMEN1KMT2A
SCHEMBL6136884 0.83 RORC (0.66) RORCRARGHPGD
SCHEMBL6137028 0.80 RORC (0.59) RORCRARGSCN9AHPGD
Hydrochloric Acid SCHEMBL6136775 0.79 RORC (0.57) RORCRARGHPGD
Hydrochloric Acid SCHEMBL6136946 0.79 RORC (0.57) RORCRARGHPGD
SCHEMBL6363756 0.78 DGAT2 (0.41) RORCSIGMAR1RARGMEN1KMT2A
SCHEMBL6136871 0.75 RORC (0.53) RORCRARGMEN1KMT2AHPGD
SCHEMBL6139715 0.75 MEN1 (0.43) MAPK8MEN1KMT2ANPSR1L3MBTL1
SCHEMBL6137351 0.75 RORC (0.50) RORCRARGSCN9AHPGD
SCHEMBL12509562 0.75 MAPK8 (0.52) MAPK8RORCMEN1KMT2ANPSR1

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-20210137960-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF NUCLEAR-PENETRATING ANTIBODIES YALE UNIVERSITY 2021-05-13 US disclosed
US-20050227299-A1 Fluorescent dyes (AIDA) for solid phase and solution phase screening AUER MANFRED 2005-10-13 US disclosed
EP-1140856-B1 FLUORESCENT DYES FOR SOLID PHASE AND SOLUTION PHASE SCREENING NOVARTIS AG (CH) 2005-04-27 EP disclosed
EP-1140856-A1 FLUORESCENT DYES FOR SOLID PHASE AND SOLUTION PHASE SCREENING Novartis AG (CH) 2001-10-10 EP disclosed
US-20010005752-A1 Fluorescent dyes (AIDA) for solid phase and solution phase screening AUER MANFRED (AT) 2001-06-28 US disclosed
US-6207831-B1 A BENZOPYRAZOLE COMPOUND NOVARTIS AG (CH) 2001-03-27 US disclosed
WO-2000037448-A1 FLUORESCENT DYES FOR SOLID PHASE AND SOLUTION PHASE SCREENING NOVARTIS AG (CH) 2000-06-29 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 (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-20010005752-A1 Fluorescent dyes (AIDA) for solid phase and solution phase screening SLC43A1, CUTA, ANXA1 MAPK8 2803/4885RORC 4824/4885P2RY14 4430/4885
US-20210137960-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF NUCLEAR-PENETRATING ANTIBODIES KPNA1, KPNA2, KPNB1 MAPK8 2205/4885RORC 1073/4885P2RY14 4261/4885
US-20050227299-A1 Fluorescent dyes (AIDA) for solid phase and solution phase screening SLCO1A2, ABCG2, SLCO1B1 MAPK8 3377/4885RORC 3437/4885P2RY14 4539/4885

“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.