SCHEMBL19019657

SCHEMBL19019657

O=C(O)/C(=N/Nc1cccnc1)C(=O)CCl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
CDK2 P24941 1/20 0.43
FLT4 P35916 1/20 0.43
NAMPT P43490 2/20 0.42
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 2/20 0.40
NOTUM Q6P988 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL19019652 1.00 RAB9A (0.44) RAB9ANPC1PKMCDK2FLT4
SCHEMBL29109011 0.82 LMNA (0.42) RAB9ANPC1PKMALDH1A1MEN1
SCHEMBL29413974 0.82 LMNA (0.42) RAB9ANPC1PKMALDH1A1MEN1
SCHEMBL19343579 0.82 LMNA (0.42) RAB9ANPC1PKMALDH1A1MEN1
SCHEMBL518533 0.76 NPC1 (0.48) RAB9ANPC1PKMNAMPTALDH1A1
SCHEMBL10267018 0.73 NOTUM (0.43) RAB9ANPC1PKMKDM4ELMNA
SCHEMBL27083606 0.73 FFAR1 (0.34)
SCHEMBL518438 0.72 NOTUM (0.45) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL7794273 0.72 NOTUM (0.45) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL518439 0.72 NOTUM (0.45) RAB9ANPC1ALDH1A1MEN1KMT2A

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
CN-114144419-A Oxazepinotrienone derivative, agricultural or horticultural insecticide containing the derivative, and method of using the same 日本农药株式会社 2022-03-04 CN disclosed
EP-3184528-B1 OXAZEPINE COMPOUND, PESTICIDE FOR AGRICULTURAL AND HORTICULTURAL USE WHICH CONTAINS SAID COMPOUND AS ACTIVE INGREDIENT, AND METHOD FOR USING SAID PESTICIDE FOR AGRICULTURAL AND HORTICULTURAL USE NIHON NOHYAKU CO LTD (JP) 2019-06-19 EP disclosed
US-10100061-B2 Oxazepine compound and agricultural/horticultural insecticide containing said compound as active ingredient, and method for using the same NIHON NOHYAKU CO., LTD. (JP) 2018-10-16 US disclosed
US-20170260199-A1 OXAZEPINE COMPOUND AND AGRICULTURAL/HORTICULTURAL INSECTICIDE CONTAINING SAID COMPOUND AS ACTIVE INGREDIENT, AND METHOD FOR USING THE SAME NIHON NOHYAKU CO., LTD. (JP) 2017-09-14 US disclosed
EP-3184528-A1 OXAZEPINE COMPOUND, PESTICIDE FOR AGRICULTURAL AND HORTICULTURAL USE WHICH CONTAINS SAID COMPOUND AS ACTIVE INGREDIENT, AND METHOD FOR USING SAID PESTICIDE FOR AGRICULTURAL AND HORTICULTURAL USE Nihon Nohyaku Co., Ltd. (JP) 2017-06-28 EP 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-10100061-B2 Oxazepine compound and agricultural/horticultural insecticide containing said compound as active ingredient, and method for using the same OXSR1, OXER1, KCNH1 RAB9A 2905/4885NPC1 3346/4885PKM 2724/4885
US-20170260199-A1 OXAZEPINE COMPOUND AND AGRICULTURAL/HORTICULTURAL INSECTICIDE CONTAINING SAID COMPOUND AS ACTIVE INGREDIENT, AND METHOD FOR USING THE SAME OXSR1, OXER1, KCNH1 RAB9A 2905/4885NPC1 3346/4885PKM 2724/4885

“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.