SCHEMBL13050352

SCHEMBL13050352

CC(C)(C)c1cn2ccc(O)cc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 4/20 0.36
POLB P06746 3/20 0.36
GFER P55789 2/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 1/20 0.36
MCHR1 Q99705 1/20 0.35
KDM4E B2RXH2 8/20 0.35
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC4 P56524 1/20 0.34
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 3/20 0.33
NR1I2 O75469 1/20 0.32
LMNA P02545 1/20 0.32
CYP2C9 P11712 1/20 0.32
MIF P14174 1/20 0.32

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
SCHEMBL20049150 0.83 HDAC4 (0.47) TP53SMN1; SMN2NPC1POLBGFER
SCHEMBL6544829 0.81 SMN1; SMN2 (0.58) TP53SMN1; SMN2NPC1POLBGFER
SCHEMBL19167337 0.81 TP53 (0.39) TP53SMN1; SMN2NPC1POLBGFER
SCHEMBL13050330 0.79 PDE10A (0.39) TP53SMN1; SMN2NPC1POLBGAA
Hydrochloric Acid SCHEMBL6545285 0.79 SMN1; SMN2 (0.57) TP53SMN1; SMN2NPC1POLBGFER
SCHEMBL13050338 0.79 TP53 (0.38) TP53SMN1; SMN2NPC1POLBMCHR1
SCHEMBL21100921 0.77 TP53 (0.36) TP53SMN1; SMN2NPC1POLBMCHR1
SCHEMBL13050350 0.77 TLR9 (0.46) TP53SMN1; SMN2NPC1KDM4ERAB9A
SCHEMBL19497542 0.77 MCHR1 (0.44) TP53SMN1; SMN2MCHR1KDM4EHDAC4
SCHEMBL4057291 0.77 HDAC1 (0.50) TP53SMN1; SMN2NPC1POLBGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150322069-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS FMR LLC 2015-11-12 US disclosed
US-8946222-B2 Phenoxymethyl heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2015-02-03 US disclosed
US-20130143888-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS ENVIVO PHAMACEUTICALS, INC. (US) 2013-06-06 US disclosed
US-8343973-B2 Phenoxymethyl heterocyclic compounds ENVIVO PHARMACEUTICALS, INC. (US) 2013-01-01 US disclosed
US-20100292238-A1 Phenoxymethyl Heterocyclic Compounds FMR LLC 2010-11-18 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-20150322069-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS PDE3A, PDE2A, PDE5A TP53 4831/4885SMN1; SMN2 331/4885NPC1 2094/4885
US-20130143888-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS PDE3A, PDE2A, PDE5A TP53 4831/4885SMN1; SMN2 331/4885NPC1 2094/4885
US-20100292238-A1 Phenoxymethyl Heterocyclic Compounds PDE3A, PDE2A, PDE5A TP53 4831/4885SMN1; SMN2 331/4885NPC1 2094/4885

“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.