SCHEMBL2056016

SCHEMBL2056016

CCCC(CCC)c1ccc(Cl)c2nc(Oc3c(OC)cc(C)cc3OC)n(C)c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 13/20 0.58
CASR P41180 2/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TUBB4A P04350 2/20 0.33
TUBB P07437 2/20 0.33
TUBA3C P0DPH7 2/20 0.33
TUBA1B P68363 2/20 0.33
TUBA4A P68366 2/20 0.33
TUBB4B P68371 2/20 0.33
TUBB3 Q13509 2/20 0.33
TUBB2A Q13885 2/20 0.33
TUBB8 Q3ZCM7 2/20 0.33
TUBA3E Q6PEY2 2/20 0.33
TUBA1A Q71U36 2/20 0.33
TUBA1C Q9BQE3 2/20 0.33
TUBB6 Q9BUF5 2/20 0.33
TUBB2B Q9BVA1 2/20 0.33
TUBB1 Q9H4B7 2/20 0.33
CRH P06850 1/20 0.33

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
SCHEMBL2056009 0.92 CRHR1 (0.69) CRHR1CASRMEN1KMT2ATUBB4A
SCHEMBL2056008 0.89 CRHR1 (0.67) CRHR1
SCHEMBL2056012 0.84 CRHR1 (0.77) CRHR1
SCHEMBL2056010 0.84 CRHR1 (0.59) CRHR1
SCHEMBL2056018 0.84 CRHR1 (0.73) CRHR1
SCHEMBL2056011 0.82 CRHR1 (0.84) CRHR1
SCHEMBL2056013 0.82 CRHR1 (0.52) CRHR1CASRMEN1KMT2A
SCHEMBL2056014 0.82 CRHR1 (0.65) CRHR1
SCHEMBL2056028 0.81 CRHR1 (0.81) CRHR1CASR
SCHEMBL2056023 0.81 CRHR1 (0.66) CRHR1CASRTUBB4ATUBBTUBA3C

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
US-8163935-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-24 US disclosed
US-8163935-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-24 US disclosed
US-8163935-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-24 US disclosed
US-20090312383-A1 Fused Heterocyclic Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-17 US disclosed
US-20090312383-A1 Fused Heterocyclic Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-17 US disclosed
US-20090312383-A1 Fused Heterocyclic Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-17 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 (1 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-20090312383-A1 Fused Heterocyclic Compounds NPY4R, CRHR1, CNR1 CRHR1 2/4885CASR 444/4885MEN1 1957/4885

“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.