SCHEMBL3605013

SCHEMBL3605013

Cc1nn(C)c(Oc2cc(O)c(Cl)cc2Cl)c1CC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.35
GPBAR1 Q8TDU6 12/20 0.35
FPR2 P25090 2/20 0.33
PROKR1 Q8TCW9 2/20 0.33
ACHE P22303 1/20 0.32
HTR4 Q13639 1/20 0.32

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
SCHEMBL3607638 0.82 PTGDR2 (0.39) SHMT2GPBAR1
SCHEMBL3613129 0.79 SHMT2 (0.36) SHMT2GPBAR1
SCHEMBL3614277 0.79 ALDH1A1 (0.38) SHMT2GPBAR1
SCHEMBL3611044 0.78 KDM4E (0.36) SHMT2GPBAR1
SCHEMBL3600270 0.78 ALDH1A1 (0.38) SHMT2
SCHEMBL3616664 0.77 SHMT2 (0.33) SHMT2GPBAR1
SCHEMBL3611093 0.77 ALDH1A1 (0.35) SHMT2GPBAR1
SCHEMBL3604269 0.77 ALOX5 (0.39) SHMT2
SCHEMBL3613905 0.76 SHMT2 (0.35) SHMT2FPR2PROKR1
SCHEMBL3614101 0.76 KDM4E (0.35) SHMT2GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016396-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 US disclosed
EP-2128138-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-12-02 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 (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-20100016396-A1 PYRAZOLE COMPOUND SLC5A1, SLC5A2, GLP1R SHMT2 411/4885GPBAR1 730/4885FPR2 2529/4885

“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.