SCHEMBL3303248

SCHEMBL3303248

COc1ccc(-c2conc2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)CN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 2/20 0.39
CYP1A2 P05177 1/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39

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
Hydrochloric Acid SCHEMBL1168347 0.99 ALDH1A1 (0.41) ALDH1A1NPC1SMN1; SMN2KDM4ERAB9A
SCHEMBL3299411 0.92 NPSR1 (0.43) ALDH1A1NPC1SMN1; SMN2KDM4ERAB9A
Hydrochloric Acid SCHEMBL1167784 0.91 NPSR1 (0.42) ALDH1A1NPC1SMN1; SMN2KDM4ERAB9A
SCHEMBL12863401 0.89 NPSR1 (0.50) ALDH1A1NPC1SMN1; SMN2KDM4ERAB9A
Hydrochloric Acid SCHEMBL4275865 0.89 ALDH1A1 (0.40) ALDH1A1NPC1SMN1; SMN2KDM4ERAB9A
SCHEMBL1167592 0.88 MAPT (0.41) ALDH1A1NPC1SMN1; SMN2KDM4ERAB9A
SCHEMBL1167589 0.88 MAPT (0.41) ALDH1A1NPC1SMN1; SMN2KDM4ERAB9A
SCHEMBL3303162 0.88 AAK1 (0.42) ALDH1A1NPC1SMN1; SMN2KDM4ERAB9A
SCHEMBL1167858 0.87 ADORA3 (0.46) ALDH1A1NPC1SMN1; SMN2KDM4ERAB9A
SCHEMBL1167999 0.87 CYP3A4 (0.43) ALDH1A1KDM4ECYP3A4CYP2C19MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090603-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORPORATION (US) 2015-07-28 US disclosed
US-20140045795-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORPORATION (US) 2014-02-13 US disclosed
US-8269017-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORPORATION (US) 2012-09-18 US disclosed
US-20110059893-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2011-03-10 US disclosed
US-7884094-B2 antiproliferative agents such as 2-amino-N-(2-methoxy-5-[3- (3,4,5-trimethoxy-phenyl)- isoxazol-4-yl)-phenyl)-3- phenylpropanamide, that inhibit tubulin polymerization and/or target vasculature, usefeul for the treatment of cancer SYNTA PHARMACEUTICALS CORP. (US) 2011-02-08 US disclosed
US-20100093670-A1 Compounds for the treatment of angiogenesis SYNTA PHARMACEUTICALS CORP. 2010-04-15 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-20140045795-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 ALDH1A1 1872/4885NPC1 650/4885SMN1; SMN2 3188/4885
US-20100093670-A1 Compounds for the treatment of angiogenesis FLT4, FLT1, TEK ALDH1A1 414/4885NPC1 2070/4885SMN1; SMN2 4855/4885
US-20110059893-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 ALDH1A1 1872/4885NPC1 650/4885SMN1; SMN2 3188/4885

“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.