SCHEMBL7468581

SCHEMBL7468581

CC(C)Nc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.58
AR P10275 5/20 0.58
RAB9A P51151 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
NPC1 O15118 3/20 0.58
HPGD P15428 1/20 0.58
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
PTGS1 P23219 1/20 0.55
SLC6A2 P23975 1/20 0.55
PTGS2 P35354 1/20 0.55
SLC6A3 Q01959 1/20 0.55
HIF1A Q16665 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
BCHE P06276 1/20 0.54
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL9021090 0.95 LTA4H (0.55) LTA4HARRAB9ASMN1; SMN2NPC1
SCHEMBL19223054 0.93 MEN1 (0.54) LTA4HARRAB9ASMN1; SMN2NPC1
SCHEMBL22018645 0.88 LTA4H (0.57) LTA4HARRAB9ASMN1; SMN2NPC1
SCHEMBL22874544 0.85 MAOB (0.51) LTA4HARRAB9ASMN1; SMN2NPC1
SCHEMBL22967401 0.83 MAOB (0.56) ARRAB9ANPC1MEN1KMT2A
SCHEMBL22967580 0.83 MAOB (0.56) ARRAB9ANPC1MEN1KMT2A
SCHEMBL6958985 0.83 F2 (0.49) LTA4HARRAB9ASMN1; SMN2NPC1
SCHEMBL5954366 0.83 LTA4H (0.63) LTA4HARRAB9ASMN1; SMN2NPC1
SCHEMBL5954364 0.83 LTA4H (0.63) LTA4HARRAB9ASMN1; SMN2NPC1
SCHEMBL22874675 0.83 MAOB (0.56) MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230136150-A1 Compositions for Inhibition of Insect Sensing UNIV VANDERBILT (US) 2023-05-04 US disclosed
US-11548900-B2 Oxazino-quinazoline and oxazino-quinoline type compound, preparation method and uses thereof BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2023-01-10 US disclosed
EP-3760633-B1 OXAZINO-QUINAZOLINE AND OXAZINO-QUINAZOLINE TYPE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2021-12-15 EP disclosed
US-20210040114-A1 OXAZINO-QUINAZOLINE AND OXAZINO-QUINOLINE TYPE COMPOUND, PREPARATION METHOD AND USES THEREOF ACCSALUS BIOSCIENCES LIMITED (VG) 2021-02-11 US disclosed
EP-3760633-A1 OXAZINO-QUINAZOLINE AND OXAZINO-QUINAZOLINE TYPE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF Beijing Scitech-MQ Pharmaceuticals Limited (CN) 2021-01-06 EP disclosed
US-20170208809-A1 Compositions for Inhibition of Insect Sensing VANDERBILT UNIVERSITY 2017-07-27 US disclosed
US-9578881-B2 Compositions for inhibition of insect sensing VANDERBILT UNIVERSITY (US) 2017-02-28 US disclosed
US-9578881-B2 Compositions for inhibition of insect sensing VANDERBILT UNIVERSITY (US) 2017-02-28 US disclosed
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING VANDERBILT UNIVERSITY (US) 2014-08-28 US disclosed
WO-2012154403-A9 COMPOSITIONS FOR INHIBITION OF INSECT SENSING VANDERBILT UNIVERSITY (US) 2013-01-03 WO disclosed
WO-2012154403-A2 COMPOSITION FOR INHIBITION OF INSECT SENSING VANDERBILT UNIVERSITY (US) 2012-11-15 WO disclosed
EP-1177175-A2 HETEROSUBSTITUTED PYRIDINE DERIVATIVES AS PDE 4 INHIBITORS MERCK FROSST CANADA INC. (CA) 2002-02-06 EP disclosed
WO-2000068198-A2 HETEROSUBSTITUTED PYRIDINE DERIVATIVES AS PDE 4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2000-11-16 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 (5 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-20230136150-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 LTA4H 1387/4885AR 744/4885RAB9A 3172/4885
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 LTA4H 1449/4885AR 760/4885RAB9A 3129/4885
US-11548900-B2 Oxazino-quinazoline and oxazino-quinoline type compound, preparation method and uses thereof WNK1, WNK2, WNK3 LTA4H 2936/4885AR 3524/4885RAB9A 2359/4885
US-20170208809-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 LTA4H 1575/4885AR 786/4885RAB9A 3052/4885
US-20210040114-A1 OXAZINO-QUINAZOLINE AND OXAZINO-QUINOLINE TYPE COMPOUND, PREPARATION METHOD AND USES THEREOF WNK1, WNK2, WNK3 LTA4H 2936/4885AR 3524/4885RAB9A 2359/4885

“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.