SCHEMBL6404492

SCHEMBL6404492

O=C(O)N(Br)c1ccc(CCCBr)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
GMNN O75496 1/20 0.41
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41
GABRA1 P14867 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
THPO P40225 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
PMP22 Q01453 1/20 0.41
HIF1A Q16665 1/20 0.41
SLCO1B3 Q9NPD5 1/20 0.41
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
ALOX5 P09917 3/20 0.37

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
SCHEMBL6554503 0.86 CYP4A11 (0.45) ALDH1A1SMN1; SMN2MAPTGMNNLMNA
SCHEMBL6405545 0.78 CYP4Z1 (0.41) ALDH1A1LMNATHRATHRBHSD17B10
SCHEMBL6554455 0.73 THRA (0.43) THRATHRBALOX5MAPK1
SCHEMBL1831978 0.73 RARB (0.59) ALDH1A1MAPTTSHRTHRATHRB
SCHEMBL9671990 0.73 TDP1 (0.48) ALDH1A1LMNAHIF1ATHRATHRB
Hydrochloric Acid SCHEMBL6139910 0.72 RARB (0.58) ALDH1A1MAPTTSHRTHRATHRB
SCHEMBL27786791 0.71 THRA (0.50) MAPTLMNATHRATHRBHSD17B10
SCHEMBL10597785 0.71 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPTTSHRNFKB1
SCHEMBL2554880 0.70 ALOX15 (0.46) ALDH1A1SMN1; SMN2MAPTLMNATSHR
SCHEMBL11359808 0.69 RARB (0.62) ALDH1A1SMN1; SMN2MAPTTSHRNFKB1

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-20050171101-A1 Phenanthridinones as parp inhibitors FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-08-04 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-20050171101-A1 Phenanthridinones as parp inhibitors PARP1, PARP11, PARP2 ALDH1A1 420/4885SMN1; SMN2 3243/4885MAPT 4117/4885

“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.