SCHEMBL3609034

SCHEMBL3609034

Cc1nn(C)c(Sc2cc(Br)c(Cl)cc2Cl)c1CO

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.31
NMT1 P30419 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL3614258 0.82 NMT1 (0.33) KDM4ENMT1
SCHEMBL3610097 0.78 SMN1; SMN2 (0.39) SMN1; SMN2KDM4ENMT1
SCHEMBL3602203 0.78 NPC1 (0.31) SMN1; SMN2NPC1RAB9A
SCHEMBL3607296 0.74 SHMT2 (0.35) SMN1; SMN2KDM4ENMT1NPC1RAB9A
SCHEMBL3607355 0.72 PTPN11 (0.35) SMN1; SMN2POLBKDM4ENPC1RAB9A
SCHEMBL3614211 0.69 HPGD (0.33) KDM4E
SCHEMBL3607426 0.69 ALDH1A1 (0.41) SMN1; SMN2KDM4ERAB9A
SCHEMBL7263845 0.66 AHR (0.42) SMN1; SMN2POLBKDM4E
SCHEMBL3600937 0.66 SMN1; SMN2 (0.52) SMN1; SMN2POLBRAB9A
SCHEMBL3608712 0.65 SMN1; SMN2 (0.39) SMN1; SMN2KDM4ENMT1

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 SMN1; SMN2 4515/4885POLB 3604/4885KDM4E 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.