SCHEMBL878093

SCHEMBL878093

CN1CC[C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.44
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP19A1 P11511 1/20 0.38
AR P10275 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
ACHE P22303 1/20 0.35
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
CCNT1 O60563 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CDK9 P50750 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL877695 1.00 PBRM1 (0.44) PBRM1MEN1KMT2ACYP19A1AR
SCHEMBL877318 1.00 PBRM1 (0.44) PBRM1MEN1KMT2ACYP19A1AR
SCHEMBL10237752 0.85 PBRM1 (0.38) PBRM1ARCTSDBACE1
SCHEMBL10209401 0.78 PBRM1 (0.47) PBRM1MEN1KMT2ACYP19A1AR
SCHEMBL9932654 0.78 PBRM1 (0.47) PBRM1MEN1KMT2ACYP19A1AR
SCHEMBL9931541 0.78 PBRM1 (0.47) PBRM1MEN1KMT2ACYP19A1AR
SCHEMBL875271 0.78 PBRM1 (0.47) PBRM1MEN1KMT2ACYP19A1AR
SCHEMBL8531446 0.76 DRD2 (0.42) MEN1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL8515074 0.76 DRD2 (0.42) MEN1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL8537824 0.76 DRD2 (0.42) MEN1KMT2ACYP3A4CYP2D6CYP2C9

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-20120083501-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-04-05 US disclosed
WO-2012040641-A2 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2012-03-29 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-20120083501-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES BACE1, PSEN1, PSEN2 PBRM1 3853/4885MEN1 3061/4885KMT2A 4037/4885

“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.