SCHEMBL12829970

SCHEMBL12829970

C/C(=N\NC(=O)c1ccc(C(=O)O)c(Cl)c1)c1nn(C)c(-c2ccc(C(C)(C)C)cc2)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 2/20 0.43
NR1H4 Q96RI1 2/20 0.43
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
AGTR1 P30556 1/20 0.40
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SERPINE1 P05121 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
OPRK1 P41145 1/20 0.37
EPHX2 P34913 1/20 0.36
KDM1A O60341 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL1483814 1.00 ESRRG (0.43) ESRRGNR1H4AKR1C2AKR1C1AGTR1
SCHEMBL1483815 1.00 ESRRG (0.43) ESRRGNR1H4AKR1C2AKR1C1AGTR1
SCHEMBL1483482 0.91 ESRRG (0.42) ESRRGNR1H4AGTR1NPC1RAB9A
SCHEMBL1483479 0.91 ESRRG (0.42) ESRRGNR1H4AGTR1NPC1RAB9A
SCHEMBL1483197 0.91 ESRRG (0.45) ESRRGAKR1C2AKR1C1AGTR1NPC1
SCHEMBL12829972 0.91 ESRRG (0.45) ESRRGAKR1C2AKR1C1AGTR1NPC1
SCHEMBL1483194 0.91 ESRRG (0.45) ESRRGAKR1C2AKR1C1AGTR1NPC1
SCHEMBL1483006 0.90 ESRRG (0.43) ESRRGAGTR1NPC1RAB9AKMT2A
SCHEMBL1483008 0.90 ESRRG (0.43) ESRRGAGTR1NPC1RAB9AKMT2A
SCHEMBL12829971 0.90 ESRRG (0.43) ESRRGAGTR1NPC1RAB9AKMT2A

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-20140051857-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2014-02-20 US disclosed
US-20130012708-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2013-01-10 US disclosed
US-8318796-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-11-27 US disclosed
US-20110077290-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2011-03-31 US disclosed
US-7576115-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-08-18 US disclosed
US-7576115-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-08-18 US disclosed
US-7351841-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-04-01 US disclosed
US-7351841-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-04-01 US disclosed
US-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2008-01-31 US disclosed
US-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2008-01-31 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 (4 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-20110077290-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 ESRRG 121/4885NR1H4 53/4885AKR1C2 1553/4885
US-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 ESRRG 123/4885NR1H4 54/4885AKR1C2 1506/4885
US-20140051857-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 ESRRG 121/4885NR1H4 53/4885AKR1C2 1553/4885
US-20130012708-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 ESRRG 121/4885NR1H4 53/4885AKR1C2 1553/4885

“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.