SCHEMBL18177905

SCHEMBL18177905

Brc1ccc2ncnc(N3CCN(Cc4ccccc4)CC3)c2c1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 9/20 0.70
ALDH1A1 P00352 3/20 0.70
NPSR1 Q6W5P4 2/20 0.70
ACHE P22303 4/20 0.65
BACE1 P56817 4/20 0.65
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
LMNA P02545 4/20 0.54
MAPT P10636 3/20 0.54
PDGFRB P09619 1/20 0.53
KDM4E B2RXH2 2/20 0.51
HPGD P15428 1/20 0.51
AURKA O14965 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
RECQL P46063 1/20 0.51
ABCB1 P08183 1/20 0.51
ABCC1 P33527 1/20 0.51
HIF1A Q16665 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.51

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
SCHEMBL30734148 0.88 HTT (0.67) HTTALDH1A1NPSR1ACHEBACE1
SCHEMBL30734208 0.84 HTT (0.61) HTTALDH1A1NPSR1ACHEBACE1
SCHEMBL3848130 0.83 HTT (0.71) HTTALDH1A1NPSR1ACHEBACE1
SCHEMBL13621630 0.82 HTT (1.00) HTTALDH1A1NPSR1ACHEBACE1
SCHEMBL3849349 0.80 HTT (0.61) HTTALDH1A1NPSR1ACHEBACE1
SCHEMBL27644467 0.79 HTT (0.75) HTTALDH1A1NPSR1ACHEBACE1
SCHEMBL29472072 0.79 HTT (0.76) HTTALDH1A1NPSR1ACHEBACE1
SCHEMBL22715242 0.79 HTT (0.76) HTTALDH1A1NPSR1ACHEBACE1
SCHEMBL3847360 0.78 ACHE (0.59) HTTALDH1A1NPSR1ACHEBACE1
SCHEMBL30734135 0.78 HTT (0.71) HTTALDH1A1NPSR1ACHEBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage WASE, NISHIKANT 2020-03-05 US disclosed
US-10351883-B2 Compounds for increasing lipid synthesis and storage NUTECH VENTURES (US) 2019-07-16 US disclosed
US-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage INVITROGEN CORPORATION 2016-10-27 US disclosed
US-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage INVITROGEN CORPORATION 2016-10-27 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 (3 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-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 HTT 3738/4885ALDH1A1 1121/4885NPSR1 3421/4885
US-10351883-B2 Compounds for increasing lipid synthesis and storage FASN, LIPC, SREBF2 HTT 3738/4885ALDH1A1 1121/4885NPSR1 3421/4885
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 HTT 3738/4885ALDH1A1 1121/4885NPSR1 3421/4885

“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.