SCHEMBL4137944

SCHEMBL4137944

OC(c1ccc2ccccc2c1)c1ncccc1F

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.45
CYP3A4 P08684 11/20 0.42
CYP2D6 P10635 11/20 0.42
SLC6A2 P23975 11/20 0.42
SLC6A4 P31645 11/20 0.42
SLC6A3 Q01959 11/20 0.42
KCNH2 Q12809 9/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.41
HSP90AA1 P07900 1/20 0.41
RAB9A P51151 1/20 0.41
PAX8 Q06710 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ATM Q13315 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL20385444 0.80 LMNA (0.53) CYP2D6SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL30910860 0.79 LMNA (0.40) LMNAATMKMT2A
SCHEMBL21831471 0.79 LMNA (0.40) LMNAATMKMT2A
SCHEMBL4144676 0.78 IGFBP3 (0.44) CYP3A4LMNA
SCHEMBL21831285 0.76 S1PR3 (0.40) KCNH2LMNAHSP90AA1PAX8MEN1
SCHEMBL4221216 0.76 LMNA (0.36) LMNAL3MBTL1MEN1KMT2A
SCHEMBL600527 0.74 UGT2B7 (0.68) UGT2B7CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL30033673 0.74 UGT2B7 (0.68) UGT2B7CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL26326655 0.72 UGT2B7 (0.55) UGT2B7CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL4145665 0.72 CYP3A4 (0.50) UGT2B7CYP3A4CYP2D6SLC6A2SLC6A4

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 9 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
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-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 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 UGT2B7 930/4885CYP3A4 588/4885CYP2D6 315/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B UGT2B7 1256/4885CYP3A4 1005/4885CYP2D6 599/4885

“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.