SCHEMBL5530291

SCHEMBL5530291

O=C(O)c1cc(-c2ccc(O)cc2)nc2ccc(Br)cc12

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPRS1 P07814 3/20 0.85
ALDH1A1 P00352 4/20 0.74
GAA P10253 3/20 0.74
MAPT P10636 3/20 0.74
LMNA P02545 1/20 0.74
P4HB P07237 1/20 0.74
DHODH Q02127 2/20 0.72
POLB P06746 3/20 0.68
RXFP1 Q9HBX9 4/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
KDM4E B2RXH2 2/20 0.64
PPARG P37231 2/20 0.64
NCOR2 Q9Y618 2/20 0.64
MC4R P32245 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
ESR1 P03372 2/20 0.62
ESR2 Q92731 2/20 0.62
NPC1 O15118 1/20 0.60
HPGD P15428 2/20 0.59

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
SCHEMBL117430 0.93 EPRS1 (0.79) EPRS1ALDH1A1GAAMAPTLMNA
SCHEMBL12237494 0.89 RXFP1 (0.75) EPRS1ALDH1A1GAAMAPTLMNA
SCHEMBL1899098 0.88 RXFP1 (0.79) EPRS1ALDH1A1GAAMAPTLMNA
SCHEMBL18320549 0.87 DHODH (0.76) EPRS1ALDH1A1GAADHODHPOLB
SCHEMBL5838639 0.87 DHODH (0.74) EPRS1ALDH1A1GAAMAPTDHODH
SCHEMBL7814193 0.86 GAA (0.71) EPRS1ALDH1A1GAAMAPTDHODH
SCHEMBL18320787 0.85 KDM4E (0.71) EPRS1ALDH1A1GAAMAPTLMNA
SCHEMBL18320678 0.84 DHODH (0.70) EPRS1ALDH1A1GAAMAPTLMNA
SCHEMBL3232504 0.83 DHODH (0.80) EPRS1ALDH1A1GAADHODHPOLB
SCHEMBL5792900 0.82 DHODH (0.78) EPRS1ALDH1A1GAADHODHMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 US disclosed
US-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 US disclosed
US-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 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-20070197509-A1 Compositions and methods for modulating gated ion channels KCNN3, KCNN2, HCN3 EPRS1 4473/4885ALDH1A1 4554/4885GAA 3748/4885

“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.