SCHEMBL5585873

SCHEMBL5585873

O=C(Nc1ccccc1)N1CCNC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.79
CYP1A2 P05177 2/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
KDM4E B2RXH2 2/20 0.55
CYP3A4 P08684 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
TP53 P04637 2/20 0.54
ALDH1A1 P00352 3/20 0.52
FAAH O00519 2/20 0.52
HSD17B10 Q99714 1/20 0.52
GAA P10253 2/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ME2 P23368 1/20 0.50
ME1 P48163 1/20 0.50

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
SCHEMBL656655 0.90 POLB (0.97) POLBCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7504156 0.88 POLB (0.93) POLBCYP1A2CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL3851668 0.88 POLB (1.00) POLBCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2027079 0.84 POLB (0.85) POLBCYP1A2CYP2D6CYP2C9CYP2C19
Pyridine SCHEMBL28096189 0.81 POLB (0.80) POLBCYP1A2CYP2D6CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL7667828 0.81 POLB (0.80) POLBCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7320026 0.81 POLB (0.79) POLBCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2897923 0.80 KDM4E (0.77) POLBCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL10729724 0.80 KDM4E (0.77) POLBCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL4676020 0.77 POLB (0.73) POLBCYP1A2CYP2D6SMN1; SMN2FAAH

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-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US claimed

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-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 POLB 1325/4885CYP1A2 4222/4885CYP2D6 4501/4885

“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.