SCHEMBL5521899

SCHEMBL5521899

CCOC(=O)C(=CNc1cccc(CN2CCCCC2)c1)C(=O)c1cc(F)c(F)c(Cl)c1F

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.43
MET P08581 1/20 0.41
NTRK1 P04629 1/20 0.40
ACKR3 P25106 12/20 0.40
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL5525549 0.87 DHODH (0.40) DHODHACKR3KDM4EMAPTNPSR1
SCHEMBL14417360 0.82 ACKR3 (0.44) DHODHACKR3NPSR1
SCHEMBL14417315 0.78 NPSR1 (0.44) DHODHKDM4EMAPTNPSR1
SCHEMBL5519865 0.78 NPSR1 (0.44) DHODHKDM4EMAPTNPSR1
SCHEMBL6709569 0.78 LMNA (0.42) DHODHACKR3KDM4EMAPTNPSR1
SCHEMBL14417314 0.78 NPSR1 (0.43) DHODHKDM4EMAPTNPSR1
SCHEMBL5523983 0.78 NPSR1 (0.50) DHODHKDM4EMAPTGAANPSR1
SCHEMBL5523980 0.78 NPSR1 (0.50) DHODHKDM4EMAPTGAANPSR1
SCHEMBL5521905 0.77 NTRK1 (0.45) METNTRK1ACKR3
SCHEMBL5525096 0.77 ACKR3 (0.40) ACKR3KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213339-A1 Quinolone Carboxylic Acid Derivatives for Treatment of Hyperproliferative Conditions BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-13 US disclosed
US-20070213339-A1 Quinolone Carboxylic Acid Derivatives for Treatment of Hyperproliferative Conditions BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-13 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-20070213339-A1 Quinolone Carboxylic Acid Derivatives for Treatment of Hyperproliferative Conditions TP53, RB1, HRAS DHODH 608/4885MET 997/4885NTRK1 2937/4885

“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.