SCHEMBL6818679

SCHEMBL6818679

COC(=O)c1cc(Br)ccc1NC(=O)c1cc(OCc2ccccc2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
GAA P10253 1/20 0.52
LRRK2 Q5S007 9/20 0.48
ABCG2 Q9UNQ0 1/20 0.47
AKR1C2 P52895 2/20 0.46
AKR1C1 Q04828 2/20 0.46
PYGL P06737 2/20 0.45
PYGM P11217 2/20 0.45
PTGES O14684 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 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
SCHEMBL6821934 0.91 AKR1C2 (0.53) LRRK2AKR1C2AKR1C1PYGLPYGM
SCHEMBL20510001 0.80 LMNA (0.52) ALDH1A1MAOBHPGDLMNA
SCHEMBL29210375 0.79 DHODH (0.44) ALDH1A1GAALRRK2AKR1C2AKR1C1
SCHEMBL18681644 0.76 CSF1R (0.54) MAOB
SCHEMBL22213620 0.76 ABCG2 (0.60) ALDH1A1ABCG2KDM4EMAPTHPGD
SCHEMBL6834125 0.76 PYGL (0.55) PYGLPYGMMAOB
SCHEMBL14075415 0.75 MAPT (0.72) ALDH1A1GAAAKR1C2AKR1C1KDM4E
SCHEMBL31454340 0.75 MAPT (0.72) ALDH1A1GAAAKR1C2AKR1C1KDM4E
SCHEMBL4895612 0.74 BRD4 (0.57) ALDH1A1MAOBKDM4EMAPTHPGD
SCHEMBL15647913 0.74 ALDH1A1 (0.64) ALDH1A1GAAKDM4EHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US disclosed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 ALDH1A1 170/4885GAA 143/4885LRRK2 4720/4885

“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.