SCHEMBL5032386

SCHEMBL5032386

C[C@H](NC(=O)c1ccc2[nH]nc(/C=C/c3ccc(F)cc3)c2c1O)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
SCN9A Q15858 2/20 0.35
CAPN1 P07384 2/20 0.35
CTSB P07858 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.34
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
CHEK1 O14757 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
KDR P35968 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
AURKA O14965 1/20 0.32
MAOA P21397 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
SCHEMBL5034298 0.88 SCN9A (0.36) LMNASCN9ACAPN1CTSBMEN1
SCHEMBL13927747 0.86 MAPK1 (0.38) LMNASCN9ACAPN1CTSBCHEK1
SCHEMBL5029993 0.85 MEN1 (0.36) LMNAMEN1KMT2AHPGDNOS3
SCHEMBL6428486 0.85 SCN9A (0.33) LMNASCN9ACAPN1CTSBHPGD
SCHEMBL6426817 0.85 MAPK1 (0.34) LMNASCN9ACAPN1CTSBMAPK1
SCHEMBL5030038 0.80 CHEK1 (0.39) SCN9ACHEK1CCNA2CDK2KDR
SCHEMBL5030171 0.80 DCAF1 (0.40) LMNAHPGDCDK2ALDH1A1MAPK1
SCHEMBL4145355 0.80 PIM1 (0.39) MEN1KMT2ACHEK1KDRALDH1A1
SCHEMBL4145350 0.80 PIM1 (0.39) MEN1KMT2ACHEK1KDRALDH1A1
SCHEMBL5034366 0.79 KDR (0.33) LMNACAPN1CTSBMEN1KMT2A

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-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

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 LMNA 3403/4885SCN9A 2431/4885CAPN1 4439/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B LMNA 3498/4885SCN9A 2678/4885CAPN1 4435/4885

“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.