SCHEMBL4139741

SCHEMBL4139741

O=[N+]([O-])c1cc2c(Br)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.34
LMNA P02545 5/20 0.33
MAPT P10636 4/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
TDP1 Q9NUW8 2/20 0.33
HTT P42858 2/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGES O14684 3/20 0.33
ALDH1A1 P00352 4/20 0.33
HIF1A Q16665 1/20 0.33
CFTR P13569 1/20 0.32
ABCG2 Q9UNQ0 2/20 0.32
CTSB P07858 1/20 0.32
MITF O75030 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL20916820 0.90 CTSB (0.35) LMNAMAPTMEN1KMT2ATDP1
SCHEMBL30554375 0.90 CTSB (0.35) LMNAMAPTMEN1KMT2ATDP1
SCHEMBL4144725 0.86 CFTR (0.34) VCAM1LMNAMAPTMEN1KMT2A
SCHEMBL1198605 0.86 MEN1 (0.36) LMNAMAPTMEN1KMT2ATDP1
SCHEMBL1201016 0.84 PIN1 (0.32) CTSBPIN1
SCHEMBL16620361 0.83 MEN1 (0.36) LMNAMAPTMEN1KMT2ATDP1
SCHEMBL16620569 0.81 CYP19A1 (0.32) MAPTMEN1KMT2AALDH1A1CTSB
SCHEMBL29584493 0.81 CYP19A1 (0.32) MAPTMEN1KMT2AALDH1A1CTSB
SCHEMBL16620027 0.81 CTSB (0.33) MAPTMEN1KMT2ACTSBPIN1
SCHEMBL4146113 0.79 KMT2A (0.34) VCAM1LMNAMAPTMEN1KMT2A

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 6 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
CN-1656079-A Pyrazole compounds and pharmaceutical compositions containing the same EISAI CO LTD (JP) 2005-08-17 CN 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 VCAM1 3190/4885LMNA 3403/4885MAPT 2811/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B VCAM1 2959/4885LMNA 3498/4885MAPT 3014/4885

“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.