SCHEMBL12829976

SCHEMBL12829976

C/C(=N\NC(=O)c1ccc(C(=O)O)cc1)c1nn(C)c(-c2ccc(Cl)cc2)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.45
RAB9A P51151 3/20 0.45
AGTR1 P30556 1/20 0.45
OPRK1 P41145 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PDE5A O76074 1/20 0.44
PDE1A P54750 1/20 0.44
PDE1B Q01064 1/20 0.44
PDE7A Q13946 1/20 0.44
PDE1C Q14123 1/20 0.44
PDE3A Q14432 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
CA4 P22748 1/20 0.43
CA9 Q16790 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL1484334 1.00 NPC1 (0.45) NPC1RAB9AAGTR1OPRK1L3MBTL1
SCHEMBL1484335 1.00 NPC1 (0.45) NPC1RAB9AAGTR1OPRK1L3MBTL1
SCHEMBL13720503 0.90 PTGS2 (0.42) NPC1RAB9ASMN1; SMN2CA2MAPT
SCHEMBL12829636 0.90 ESRRG (0.40) NPC1RAB9AL3MBTL1SMN1; SMN2NFKB1
SCHEMBL1483521 0.90 ESRRG (0.40) NPC1RAB9AL3MBTL1SMN1; SMN2NFKB1
SCHEMBL1483519 0.90 ESRRG (0.40) NPC1RAB9AL3MBTL1SMN1; SMN2NFKB1
SCHEMBL12829635 0.89 MEN1 (0.43) NPC1RAB9AOPRK1SMN1; SMN2CA2
SCHEMBL1483468 0.89 MEN1 (0.43) NPC1RAB9AOPRK1SMN1; SMN2CA2
SCHEMBL1483471 0.89 MEN1 (0.43) NPC1RAB9AOPRK1SMN1; SMN2CA2
SCHEMBL12568404 0.88 ESRRG (0.51) NPC1RAB9AAGTR1SMN1; SMN2CA1

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 9 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-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 (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-20110077290-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 NPC1 4084/4885RAB9A 3863/4885AGTR1 443/4885
US-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 NPC1 4068/4885RAB9A 3877/4885AGTR1 441/4885
US-20140051857-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 NPC1 4084/4885RAB9A 3863/4885AGTR1 443/4885

“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.