SCHEMBL3554498

SCHEMBL3554498

COC(=O)C1CCN1C(=O)c1cc(Br)c(OC)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
FKBP1A P62942 1/20 0.47
PDK2 Q15119 2/20 0.46
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 2/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39
TUBB6 Q9BUF5 1/20 0.39

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
SCHEMBL3554500 1.00 ALDH1A1 (0.48) ALDH1A1FKBP1APDK2SLC6A2SLC6A4
SCHEMBL3546824 0.92 FKBP1A (0.55) ALDH1A1FKBP1APDK2KMT2ATUBB4A
SCHEMBL3546826 0.92 FKBP1A (0.55) ALDH1A1FKBP1APDK2KMT2ATUBB4A
SCHEMBL3545587 0.88 ALDH1A1 (0.42) ALDH1A1FKBP1APDK2SLC6A2SLC6A4
SCHEMBL3545585 0.88 ALDH1A1 (0.42) ALDH1A1FKBP1APDK2SLC6A2SLC6A4
SCHEMBL3544029 0.88 ALDH1A1 (0.49) ALDH1A1FKBP1APDK2KMT2AGAA
SCHEMBL3544028 0.88 ALDH1A1 (0.49) ALDH1A1FKBP1APDK2KMT2AGAA
SCHEMBL3546350 0.85 FKBP1A (0.64) ALDH1A1FKBP1APDK2KMT2AGAA
SCHEMBL3546353 0.85 FKBP1A (0.64) ALDH1A1FKBP1APDK2KMT2AGAA
SCHEMBL3544922 0.81 TSHR (0.49) ALDH1A1FKBP1AKMT2ATUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691843-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2010-04-06 US disclosed
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity VICURON HOLDINGS LLC 2008-03-06 US disclosed
EP-1539744-A4 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARM INC (US) 2007-06-06 EP disclosed
EP-1539744-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2005-06-15 EP disclosed
WO-2004007444-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS, INC. (US) 2004-01-22 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-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity AMDHD2, OGA, ENGASE ALDH1A1 2309/4885FKBP1A 3069/4885PDK2 2445/4885

“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.