SCHEMBL6759296

SCHEMBL6759296

O=C(NCCN1CCCC1)c1cc2cc([N+](=O)[O-])ccc2s1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.82
POLB P06746 4/20 0.68
ALDH1A1 P00352 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.58
GAA P10253 3/20 0.52
MAPT P10636 4/20 0.49
RAB9A P51151 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 2/20 0.49
MEN1 O00255 2/20 0.49
BLM P54132 2/20 0.49
HTT P42858 1/20 0.49
RECQL P46063 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
ACKR3 P25106 1/20 0.48
DRD2 P14416 2/20 0.46

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
SCHEMBL6606228 0.90 LMNA (1.00) LMNAPOLBALDH1A1SMN1; SMN2GAA
SCHEMBL6601820 0.83 LMNA (0.58) LMNAPOLBKMT2AMEN1ACKR3
SCHEMBL26758003 0.77 LMNA (0.60) LMNAPOLBALDH1A1SMN1; SMN2MAPT
SCHEMBL11178766 0.77 LMNA (0.73) LMNAPOLBALDH1A1SMN1; SMN2GAA
SCHEMBL11883612 0.76 LMNA (0.51) LMNAPOLBALDH1A1MAPTDRD2
Hydrochloric Acid SCHEMBL11794868 0.75 GLA (0.51) LMNAPOLBALDH1A1SMN1; SMN2MAPT
SCHEMBL6233282 0.75 ALDH1A1 (1.00) LMNAPOLBALDH1A1SMN1; SMN2GAA
Bromomethane SCHEMBL11879089 0.74 LMNA (0.49) LMNAPOLBALDH1A1MAPTDRD2
SCHEMBL14430767 0.74 SLC6A2 (0.70) RAB9AACKR3DRD2DRD3
SCHEMBL6607124 0.73 ALDH1A1 (0.56) LMNAPOLBALDH1A1SMN1; SMN2GAA

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-20040204417-A1 Novel benzothienyl or indole derivatives, preparation and use thereof as inhibitors of prenyl transferase proteins PIERRE FABRE MEDICAMENT (FR) 2004-10-14 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-20040204417-A1 Novel benzothienyl or indole derivatives, preparation and use thereof as inhibitors of prenyl transferase proteins CBR1, CBR3, HCCS LMNA 2717/4885POLB 4034/4885ALDH1A1 2558/4885

“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.