SCHEMBL30101804

SCHEMBL30101804

CC(C)(C)OC(=O)NCc1cc(Br)ccc1OCc1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CCR5 P51681 3/20 0.49
LMNA P02545 2/20 0.48
CYP3A4 P08684 1/20 0.48
LRRK2 Q5S007 5/20 0.48
NAMPT P43490 1/20 0.47
ALDH1A1 P00352 3/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
USP28 Q96RU2 1/20 0.47
USP25 Q9UHP3 1/20 0.47
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.44
MAPK1 P28482 1/20 0.44
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 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
SCHEMBL3418906 0.87 CCR5 (0.64) MEN1KMT2ACCR5LMNAALDH1A1
SCHEMBL23275276 0.85 MEN1 (0.56) MEN1KMT2ACCR5LMNALRRK2
SCHEMBL30101799 0.83 CCR5 (0.50) MEN1KMT2ACCR5LMNACYP3A4
SCHEMBL30101745 0.82 CCR5 (0.53) MEN1KMT2ACCR5LMNACYP3A4
SCHEMBL30101793 0.80 GAA (0.47) MEN1KMT2ACCR5LMNAALDH1A1
SCHEMBL20869029 0.79 ALDH1A1 (0.48) MEN1KMT2ACCR5LMNAALDH1A1
SCHEMBL30101803 0.79 ALDH1A1 (0.48) MEN1KMT2ACCR5LMNAALDH1A1
SCHEMBL30101842 0.79 CCR5 (0.47) MEN1KMT2ACCR5LMNALRRK2
SCHEMBL479925 0.78 CYP3A4 (0.72) KMT2ALMNACYP3A4NAMPTALDH1A1
SCHEMBL30101769 0.77 LMNA (0.46) MEN1KMT2ACCR5LMNAALDH1A1

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-20220411377-A1 SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITORS NORTHWESTERN UNIVERSITY 2022-12-29 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-20220411377-A1 SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITORS NOS3, NOS1, NOS2 MEN1 4446/4885KMT2A 3078/4885CCR5 3927/4885

“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.