SCHEMBL3609878

SCHEMBL3609878

Cc1nn(C)c(Sc2cc(O[C@@H](C)C(=O)O)c(Cl)cc2Cl)c1C(=O)N1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GPBAR1 Q8TDU6 5/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
MAPT P10636 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
THRB P10828 1/20 0.33
PTGDR2 Q9Y5Y4 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
SCHEMBL3599634 0.87 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10HPGDLMNA
SCHEMBL3603499 0.85 ALDH1A1 (0.38) POLBALDH1A1KDM4EHSD17B10HPGD
SCHEMBL3605174 0.83 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10HPGDLMNA
SCHEMBL3608078 0.82 GPBAR1 (0.46) ALDH1A1KDM4EHSD17B10HPGDGPBAR1
SCHEMBL3599746 0.81 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10HPGDLMNA
SCHEMBL3606243 0.81 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10HPGDLMNA
SCHEMBL3607426 0.80 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL3601746 0.79 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10HPGDLMNA
SCHEMBL3615618 0.79 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10HPGDLMNA
SCHEMBL3606716 0.79 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10HPGDLMNA

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 POLB 3604/4885ALDH1A1 365/4885KDM4E 2049/4885

“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.