SCHEMBL5371489

SCHEMBL5371489

CCCCn1nc(C(F)(F)F)c(C)c1OCC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.38
ALDH1A1 P00352 5/20 0.33
HPGD P15428 4/20 0.33
KDM4E B2RXH2 3/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
NR1H3 Q13133 1/20 0.33
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL5377985 0.91
SCHEMBL5374696 0.84 MEN1 (0.30) KDM4ECYP2C19MEN1KMT2A
SCHEMBL5369514 0.78 LMNA (0.36) ALDH1A1HTTLMNAMEN1MAPT
SCHEMBL5382745 0.75 NR1H3 (0.36) ALDH1A1KDM4EHTTLMNATSHR
SCHEMBL5374664 0.72 PTGS1 (0.30)
SCHEMBL5374686 0.71 MPO (0.33) MPOCYP2C19MEN1KMT2A
SCHEMBL13259552 0.68 POLB (0.35) ALDH1A1HPGDKDM4EHTTLMNA
SCHEMBL803151 0.66 POLB (0.36)
SCHEMBL5280188 0.65 SLC9A1 (0.40) ALDH1A1KDM4EHTTLMNATSHR
SCHEMBL5370184 0.65 KDM4E (0.34) KDM4ELMNA

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
EP-1541561-B1 PYRAZOLE DERIVATIVES AND PROCESS FOR THE PRODUCTION THEREOF IHARA CHEMICAL IND CO (JP) 2014-07-23 EP disclosed
US-20070249844-A1 Pyrazole derivatives and process for the production thereof IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2007-10-25 US disclosed
US-7256298-B2 Pyrazole derivatives and process for the production thereof IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2007-08-14 US disclosed
US-20050215797-A1 Pyrazole derivatives and process for the production thereof KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-09-29 US disclosed
EP-1541561-A1 PYRAZOLE DERIVATIVES AND PROCESS FOR THE PRODUCTION THEREOF IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2005-06-15 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-20070249844-A1 Pyrazole derivatives and process for the production thereof CBR3, CYP4Z1, CYP4F3 MPO 1778/4885ALDH1A1 373/4885HPGD 633/4885
US-20050215797-A1 Pyrazole derivatives and process for the production thereof CBR3, CYP4Z1, CYP4F3 MPO 1778/4885ALDH1A1 373/4885HPGD 633/4885

“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.