SCHEMBL13720580

SCHEMBL13720580

COC(=O)c1ccc(C(=O)N/N=C(\C)c2csc(-c3ccc(C(C)(C)C)cc3)c2O)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 1/20 0.44
MTOR P42345 4/20 0.41
AGTR1 P30556 1/20 0.40
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 2/20 0.36
GCGR P47871 1/20 0.36
KDM1A O60341 1/20 0.35
HPGD P15428 1/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
THRB P10828 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
SCHEMBL1483840 1.00 ESRRG (0.44) ESRRGMTORAGTR1RAB9ANPC1
SCHEMBL1483843 1.00 ESRRG (0.44) ESRRGMTORAGTR1RAB9ANPC1
SCHEMBL1483562 0.91 ESRRG (0.46) ESRRGMTORAGTR1RAB9ANPC1
SCHEMBL13720462 0.91 ESRRG (0.46) ESRRGMTORAGTR1RAB9ANPC1
SCHEMBL1483563 0.91 ESRRG (0.46) ESRRGMTORAGTR1RAB9ANPC1
SCHEMBL1483413 0.89 ESRRG (0.44) ESRRGAGTR1RAB9ANPC1SMN1; SMN2
SCHEMBL1483415 0.89 ESRRG (0.44) ESRRGAGTR1RAB9ANPC1SMN1; SMN2
SCHEMBL1484328 0.89 ESRRG (0.44) ESRRGMTORAGTR1RAB9ANPC1
SCHEMBL13720835 0.89 ESRRG (0.44) ESRRGAGTR1RAB9ANPC1SMN1; SMN2
SCHEMBL13720945 0.89 ESRRG (0.44) ESRRGMTORAGTR1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636192-B9 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL IND LTD (JP) 2015-07-01 EP disclosed
US-20140051857-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2014-02-20 US disclosed
EP-1636192-B1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL IND LTD (JP) 2014-01-15 EP 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-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 (2 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-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 ESRRG 123/4885MTOR 1168/4885AGTR1 441/4885
US-20140051857-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 ESRRG 121/4885MTOR 1158/4885AGTR1 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.