SCHEMBL20047089

SCHEMBL20047089

CC(C)(C)C(=O)Nc1ccc2cc(Br)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 2/20 0.46
MAPT P10636 3/20 0.43
BACE1 P56817 1/20 0.42
ADORA1 P30542 2/20 0.42
MTOR P42345 1/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
DYRK1A Q13627 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
KDR P35968 1/20 0.38
ABL1 P00519 1/20 0.38

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
SCHEMBL25898917 0.84 MAPT (0.52) MAPTADORA1RAB9ANPC1CYP1A2
SCHEMBL21864960 0.84 TYR (0.45) MAPTADORA1RAB9ANPC1CYP1A2
SCHEMBL1543563 0.83 RAB9A (0.52) SORT1MAPTBACE1MTORRAB9A
SCHEMBL12567166 0.82 SORT1 (0.43) SORT1BACE1MTORRAB9ANPC1
SCHEMBL21864961 0.80 MEN1 (0.50) MAPTRAB9ANPC1HDAC1HDAC2
SCHEMBL5676796 0.78 NPC1 (0.59) MAPTADORA1MTORRAB9ANPC1
SCHEMBL21864813 0.77 MAPT (0.46) MAPTBACE1ADORA1RAB9ANPC1
SCHEMBL30216052 0.77 MAPT (0.46) MAPTBACE1ADORA1RAB9ANPC1
SCHEMBL1544058 0.76 BACE1 (0.55) SORT1MAPTBACE1RAB9ANPC1
SCHEMBL28338629 0.75 NPC1 (0.68) SORT1MAPTMTORRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11746097-B2 LXR inverse agonists for treatment of cancer SAINT LOUIS UNIVERSITY (US) 2023-09-05 US disclosed
US-20200308135-A1 LXR INVERSE AGONISTS FOR TREATMENT OF CANCER SAINT LOUIS UNIVERSITY (US) 2020-10-01 US disclosed
WO-2017223514-A9 LXR INVERSE AGONISTS FOR TREATMENT OF CANCER SAINT LOUIS UNIVERSITY (US) 2018-04-12 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 (2 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-20200308135-A1 LXR INVERSE AGONISTS FOR TREATMENT OF CANCER NR1H2, NR1H3, PPARD SORT1 4497/4885MAPT 4783/4885BACE1 1537/4885
US-11746097-B2 LXR inverse agonists for treatment of cancer NR1H2, NR1H3, PPARD SORT1 4497/4885MAPT 4783/4885BACE1 1537/4885

“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.