SCHEMBL20089100

SCHEMBL20089100

Nc1cc(N2CCCCC2)cnc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
MAPT P10636 13/20 0.54
ALDH1A1 P00352 10/20 0.50
MAPK1 P28482 3/20 0.48
HTT P42858 1/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RECQL P46063 1/20 0.43
SIRT6 Q8N6T7 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX12 P18054 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL359096 0.85 POLB (0.56) LMNAMAPTALDH1A1MAPK1CYP1A2
SCHEMBL27927938 0.82 MAPT (0.42) LMNAMAPTALDH1A1HTTCYP1A2
SCHEMBL16684526 0.79 POLB (0.49) LMNAMAPTALDH1A1MAPK1CYP1A2
SCHEMBL899935 0.75 MAPT (0.58) LMNAMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL20089094 0.75 S100B (0.50) LMNAMAPTALDH1A1MAPK1HTT
SCHEMBL8074050 0.75 LMNA (0.97) LMNAMAPTALDH1A1MAPK1CYP1A2
SCHEMBL3381562 0.75 LMNA (0.97) LMNAMAPTALDH1A1MAPK1CYP1A2
SCHEMBL3109069 0.73 LMNA (1.00) LMNAMAPTALDH1A1MAPK1CYP1A2
SCHEMBL30059159 0.73 LMNA (1.00) LMNAMAPTALDH1A1MAPK1CYP1A2
SCHEMBL20089093 0.73 ALDH1A1 (0.54) LMNAMAPTALDH1A1MAPK1HTT

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-20180111927-A1 HETEROCYCLIC-IMIDAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD (CN) 2018-04-26 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-20180111927-A1 HETEROCYCLIC-IMIDAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF PARP1, PARP8, PARP11 LMNA 634/4885MAPT 2546/4885ALDH1A1 316/4885

“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.