SCHEMBL4145467

SCHEMBL4145467

CCOC(=O)c1ccc2c(c(I)nn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
ELANE P08246 2/20 0.37
ALDH1A1 P00352 5/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.35
TP53 P04637 1/20 0.35
MDM2 Q00987 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.34
PDE4D Q08499 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL4155261 0.89 MAPK1 (0.36) ELANEALDH1A1KDM4EMAPTHPGD
SCHEMBL4148977 0.85 TSHR (0.36) TSHRELANEALDH1A1LMNAKDM4E
SCHEMBL4157675 0.80 MAPK1 (0.38) TSHRELANEALDH1A1KDM4ESMN1; SMN2
SCHEMBL4157669 0.80 MAPK1 (0.38) TSHRELANEALDH1A1KDM4ESMN1; SMN2
SCHEMBL13927715 0.80 MAPT (0.39) TSHRELANEALDH1A1LMNAKDM4E
SCHEMBL4149027 0.79 FNTA (0.35) ELANEALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL4149033 0.79 FNTA (0.35) ELANEALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL4144586 0.78 TUBB4A (0.36) TSHRELANEALDH1A1LMNAKDM4E
SCHEMBL4144588 0.78 TUBB4A (0.36) TSHRELANEALDH1A1LMNAKDM4E
SCHEMBL4144001 0.78 ELANE (0.36) ELANEALDH1A1LMNAKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 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 (2 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B TSHR 814/4885ELANE 3610/4885ALDH1A1 2731/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B TSHR 992/4885ELANE 3685/4885ALDH1A1 2713/4885

“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.