SCHEMBL6697420

SCHEMBL6697420

COc1ccc(-c2nc(-c3ccccc3)no2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 1.00
S1PR1 P21453 1/20 1.00
MAPT P10636 8/20 0.78
LMNA P02545 1/20 0.78
NPC1 O15118 13/20 0.77
RAB9A P51151 13/20 0.77
SMN1; SMN2 Q16637 7/20 0.77
NPSR1 Q6W5P4 1/20 0.77
MEN1 O00255 2/20 0.74
KMT2A Q03164 2/20 0.74
NFKB1 P19838 3/20 0.72
NFKB2 Q00653 3/20 0.72
RELA Q04206 3/20 0.72
TP53 P04637 3/20 0.72
TDP1 Q9NUW8 3/20 0.72
KDM4E B2RXH2 3/20 0.67
L3MBTL1 Q9Y468 3/20 0.67
ALDH1A1 P00352 2/20 0.67
HSD17B10 Q99714 2/20 0.67
PKM P14618 2/20 0.67

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
SCHEMBL7291752 1.00 NR1H4 (1.00) NR1H4S1PR1MAPTLMNANPC1
SCHEMBL16592723 0.91 NR1H4 (0.83) NR1H4S1PR1MAPTLMNANPC1
SCHEMBL22757148 0.88 NR1H4 (0.78) NR1H4S1PR1MAPTLMNANPC1
SCHEMBL12895918 0.86 RAB9A (0.76) NR1H4S1PR1MAPTLMNANPC1
SCHEMBL3056578 0.86 NR1H4 (0.74) NR1H4S1PR1MAPTLMNANPC1
SCHEMBL12692350 0.86 NPC1 (0.86) NR1H4S1PR1MAPTLMNANPC1
SCHEMBL16592531 0.85 RAB9A (0.74) NR1H4S1PR1MAPTLMNANPC1
SCHEMBL3057492 0.85 RAB9A (0.74) NR1H4S1PR1MAPTLMNANPC1
SCHEMBL29936657 0.85 RAB9A (0.74) NR1H4S1PR1MAPTLMNANPC1
SCHEMBL26095707 0.85 RAB9A (1.00) NR1H4S1PR1MAPTLMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210198220-A1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2021-07-01 US disclosed
US-11001563-B2 SSAO inhibitor SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2021-05-11 US disclosed
US-20200115352-A1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO., LTD. 2020-04-16 US disclosed
US-10544136-B2 Modulators of sphingosine phosphate receptors THE SCRIPPS RESEARCH INSTITUTE (US) 2020-01-28 US disclosed
US-20190084947-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS THE SCRIPPS RESEARCH INSTITUTE 2019-03-21 US disclosed
US-20130096165-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2013-04-18 US disclosed
US-8362050-B2 Compounds and methods for modulating G protein-coupled receptors IRM LLC (BM) 2013-01-29 US disclosed
US-20110172278-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2011-07-14 US disclosed
US-20040248950-A1 Apo ai expression accelerating agent SHIONOGI & CO., LTD. (JP) 2004-12-09 US disclosed
EP-1419770-A1 APO AI EXPRESSION ACCELERATING AGENT SHIONOGI & CO., LTD. (JP) 2004-05-19 EP 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 (8 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-11001563-B2 SSAO inhibitor SSB, ASAH2, AOX1 NR1H4 1226/4885S1PR1 173/4885MAPT 4231/4885
US-10544136-B2 Modulators of sphingosine phosphate receptors S1PR1, S1PR3, S1PR2 NR1H4 440/4885S1PR1 1/4885MAPT 4693/4885
US-20190084947-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 NR1H4 655/4885S1PR1 1/4885MAPT 4675/4885
US-20210198220-A1 SSAO INHIBITOR SSB, ASAH2, AOX1 NR1H4 1226/4885S1PR1 173/4885MAPT 4231/4885
US-20130096165-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS GRK2, GRK3, GPR3 NR1H4 150/4885S1PR1 512/4885MAPT 4037/4885
US-20110172278-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS GRK2, GRK3, GPR3 NR1H4 150/4885S1PR1 512/4885MAPT 4037/4885
US-20040248950-A1 Apo ai expression accelerating agent APOB, APOL1, NR1H2 NR1H4 81/4885S1PR1 1058/4885MAPT 4864/4885
US-20200115352-A1 SSAO INHIBITOR SSB, ASAH2, AOX1 NR1H4 1226/4885S1PR1 173/4885MAPT 4231/4885

“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.