SCHEMBL3603467

SCHEMBL3603467

COCOc1cc(OCc2ccccc2)c(Br)cc1C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 1/20 0.45
ERN1 O75460 3/20 0.45
USP2 O75604 1/20 0.43
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
CCNB1 P14635 1/20 0.42
CCND1 P24385 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
ABCB1 P08183 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TLR9 Q9NR96 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL1539204 0.91 SMN1; SMN2 (0.52) PTPN1SMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL20139379 0.88 PTPN1 (0.61) PTPN1SMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL7078292 0.88 ERN1 (0.56) PTPN1SMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL1853345 0.86 LMNA (0.45) PTPN1SMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL3607984 0.85 PDCD1 (0.51) SMN1; SMN2ALDH1A1HPGDMAPTL3MBTL1
SCHEMBL2267469 0.82 ERN1 (0.43) SMN1; SMN2LMNAALDH1A1HPGDMAPT
SCHEMBL20139381 0.82 SMN1; SMN2 (0.45) PTPN1SMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL3605301 0.81 MAPT (0.45) PTPN1SMN1; SMN2ALDH1A1MAPTL3MBTL1
SCHEMBL590803 0.81 SMN1; SMN2 (0.50) PTPN1SMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL20139428 0.81 SMN1; SMN2 (0.49) PTPN1SMN1; SMN2LMNAALDH1A1HPGD

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 PTPN1 403/4885SMN1; SMN2 4515/4885LMNA 4306/4885

“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.