SCHEMBL11980596

SCHEMBL11980596

NC(=O)Oc1ccc(N(CCBr)CCBr)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
KIF11 P52732 1/20 0.40
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 4/20 0.33
CYP3A4 P08684 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 3/20 0.33
ALOX15 P16050 2/20 0.33
HIF1A Q16665 2/20 0.33
LMNA P02545 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ABCB11 O95342 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
ACHE P22303 1/20 0.33
PTGS1 P23219 1/20 0.33
OPRM1 P35372 1/20 0.33

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
SCHEMBL5384052 0.83 CYP3A4 (0.49) KMT2AMEN1KIF11ALDH1A1CYP3A4
SCHEMBL6284986 0.74 KMT2A (0.64) KMT2AMEN1KIF11RAB9AALDH1A1
SCHEMBL28842285 0.73 KMT2A (0.44) KMT2AMEN1KIF11LMNATDP1
SCHEMBL658115 0.72 CA1 (0.46) RAB9AALDH1A1SMN1; SMN2MAPTTDP1
SCHEMBL23174993 0.72 MEN1 (0.47) KMT2AMEN1KIF11ALDH1A1PARP10
SCHEMBL9645558 0.72 ALDH1A1 (0.49) KMT2AMEN1KIF11RAB9AALDH1A1
SCHEMBL14839594 0.71 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL7460843 0.71 TSHR (0.48) KMT2AMEN1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7473269 0.69 EGFR (0.42) KMT2AMEN1ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL15057893 0.69 GSK3B (0.61) KMT2AMEN1KIF11ALDH1A1PARP10

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-8236985-B2 Compounds and uses thereof IMPERIAL INNOVATIONS LTD. (GB) 2012-08-07 US disclosed
US-20100063144-A1 COMPOUNDS AND USES THEREOF IMPERIAL INNOVATIONS LTD (GB) 2010-03-11 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-20100063144-A1 COMPOUNDS AND USES THEREOF HDAC1, HDAC11, HDAC2 KMT2A 58/4885MEN1 1240/4885KIF11 4593/4885

“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.