SCHEMBL3609623

SCHEMBL3609623

CCc1cc(Cl)c(Oc2c(CO)c(C)nn2C)cc1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 1/20 0.38
PDCD1 Q15116 5/20 0.37
CD274 Q9NZQ7 5/20 0.37
PTGER1 P34995 7/20 0.37
NR1H4 Q96RI1 1/20 0.36
ATP4A P20648 1/20 0.36
ATP4B P51164 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
MAPK14 Q16539 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL3607091 0.84 CYP1A2 (0.48) RHEBSMN1; SMN2KMT2APDCD1CD274
SCHEMBL3616401 0.84 SMN1; SMN2 (0.46) RHEBSMN1; SMN2ALDH1A1KMT2APTGER1
SCHEMBL3616398 0.84 SMN1; SMN2 (0.46) RHEBSMN1; SMN2ALDH1A1KMT2APTGER1
SCHEMBL3597738 0.80 ALDH1A1 (0.40) RHEBSMN1; SMN2ALDH1A1KMT2APTGDR2
SCHEMBL3604504 0.76 RHEB (0.41) RHEBSMN1; SMN2ATP4AATP4BMAPK14
SCHEMBL3608988 0.74 CYP1A2 (0.50) RHEBSMN1; SMN2KMT2APDCD1CD274
SCHEMBL3610486 0.73 PTGDR2 (0.49) SMN1; SMN2ALDH1A1KMT2APTGDR2LMNA
SCHEMBL3612387 0.73 SLC22A12 (0.42) ALDH1A1KMT2APTGDR2
SCHEMBL3608007 0.72 KDM4E (0.39) ALDH1A1KMT2APTGDR2
SCHEMBL3609981 0.72 KDM4E (0.39) ALDH1A1KMT2APTGDR2

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 RHEB 2530/4885SMN1; SMN2 4515/4885ALDH1A1 365/4885

“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.