SCHEMBL5585874

SCHEMBL5585874

NC(=O)[N+]1(c2ccccc2)CCNC1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
PARP1 P09874 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
LMNA P02545 1/20 0.32
OPRD1 P41143 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
PARP10 Q53GL7 1/20 0.30

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
SCHEMBL4954495 0.89
SCHEMBL625869 0.72 DRD2 (0.36) MAPTCYP2C19SIGMAR1OPRD1CYP2C9
SCHEMBL811571 0.67 ORAI1 (0.34) SIGMAR1
SCHEMBL5547599 0.67 KMT2A (0.46) MAPTHSD17B10TDP1L3MBTL1LMNA
SCHEMBL4732077 0.67 KDM4E (0.37) TSHRCYP2C19TDP1LMNA
SCHEMBL11018062 0.66 ALDH1A1 (0.34) TSHRHSD17B10
SCHEMBL5585934 0.63 POLB (0.31) POLBCYP3A4PARP1MAPTTSHR
SCHEMBL9699016 0.63 ORAI1 (0.38) SIGMAR1LMNA
SCHEMBL4907271 0.62 ORAI1 (0.40) TSHRCYP2C19SIGMAR1CYP2C9
SCHEMBL7453435 0.60

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 1325/4885CYP3A4 4279/4885PARP1 1052/4885

“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.