SCHEMBL6800559

SCHEMBL6800559

CCOc1cc(C(F)(F)F)nn1CCOc1ccc2cc(Br)ccc2c1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.37
KMT2A Q03164 1/20 0.37
NCEH1 Q6PIU2 1/20 0.35
GRIA2 P42262 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
PTPN1 P18031 1/20 0.33
S1PR4 O95977 1/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
HTT P42858 2/20 0.32
MAPT P10636 2/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL6601521 0.85 RXFP1 (0.39) RXFP1KMT2ANCEH1ALDH1A1LMNA
SCHEMBL6605932 0.84 LMNA (0.38) KMT2AGRIA2GRIN1GRIN2AALDH1A1
SCHEMBL6804459 0.83 KMT2A (0.36) RXFP1KMT2APTPN1ALDH1A1LMNA
SCHEMBL6804138 0.82 RXFP1 (0.36) RXFP1KMT2ANCEH1ALDH1A1LMNA
SCHEMBL6809755 0.81 KMT2A (0.33) RXFP1KMT2ANCEH1PTPN1
SCHEMBL6602524 0.81 ADORA1 (0.40) RXFP1KMT2ANCEH1S1PR4ALDH1A1
SCHEMBL6603187 0.80 HTR2C (0.36) RXFP1KMT2ANCEH1PTPN1ALDH1A1
SCHEMBL6603578 0.80 RXFP1 (0.36) RXFP1KMT2ANCEH1ALDH1A1LMNA
SCHEMBL6602266 0.80 KMT2A (0.34) RXFP1KMT2ANCEH1ALDH1A1HTT
SCHEMBL6606288 0.80 RXFP1 (0.36) RXFP1KMT2ANCEH1ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040180891-A1 Pyrazole derivatives useful in the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION 2004-09-16 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 (1 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-20040180891-A1 Pyrazole derivatives useful in the treatment of hyper-proliferative disorders MKI67, CDK4, FLT4 RXFP1 3332/4885KMT2A 2911/4885NCEH1 3856/4885

“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.