SCHEMBL4240834

SCHEMBL4240834

CC(C)(CO)NC(=O)c1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGG1 O15527 1/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
ATM Q13315 2/20 0.52
POLB P06746 2/20 0.49
HDAC1 Q13547 5/20 0.47
HDAC3 O15379 4/20 0.47
HDAC2 Q92769 4/20 0.47
CTDSP1 Q9GZU7 1/20 0.46
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
GFER P55789 1/20 0.45

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
SCHEMBL6023280 0.84 NPC1 (0.54) NPC1RAB9AATMPOLBHDAC1
SCHEMBL10123127 0.84 RAB9A (0.54) NPC1RAB9AATMPOLBHDAC1
SCHEMBL706443 0.84 HDAC1 (0.58) NPC1RAB9AATMPOLBHDAC1
SCHEMBL28360034 0.82 NPC1 (0.52) NPC1RAB9AATMPOLBHDAC1
SCHEMBL3757683 0.82 NPC1 (0.52) NPC1RAB9AATMPOLBHDAC1
SCHEMBL11074386 0.82 NPC1 (0.52) NPC1RAB9AATMPOLBKDM4E
SCHEMBL3750397 0.82 POLB (0.54) NPC1RAB9AATMPOLBCTDSP1
SCHEMBL621869 0.81 POLB (0.71) NPC1RAB9AATMPOLBHDAC1
SCHEMBL691761 0.81 KMT2A (0.56) OGG1NPC1RAB9APOLBHDAC1
SCHEMBL600655 0.81 MAPT (0.58) NPC1RAB9AATMPOLBALDH1A1

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-11342511-B2 Azoline ring-containing compound, electron transport/injection layer material containing the same, and organic electroluminescent element using the same SK MATERIALS JNC CO., LTD. (KR) 2022-05-24 US disclosed
US-11342511-B2 Azoline ring-containing compound, electron transport/injection layer material containing the same, and organic electroluminescent element using the same SK MATERIALS JNC CO., LTD. (KR) 2022-05-24 US disclosed
CN-107531641-B Material for transporting electrons, organic electroluminescent element, and display device or lighting device 爱思开新材料捷恩智株式会社 2022-03-15 CN disclosed
US-20180212156-A1 AZOLINE RING-CONTAINING COMPOUND, ELECTRON TRANSPORT/INJECTION LAYER MATERIAL CONTAINING THE SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME JNC CORPORATION (JP) 2018-07-26 US disclosed
US-20180212156-A1 AZOLINE RING-CONTAINING COMPOUND, ELECTRON TRANSPORT/INJECTION LAYER MATERIAL CONTAINING THE SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME JNC CORPORATION (JP) 2018-07-26 US disclosed
US-20180212156-A1 AZOLINE RING-CONTAINING COMPOUND, ELECTRON TRANSPORT/INJECTION LAYER MATERIAL CONTAINING THE SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME JNC CORPORATION (JP) 2018-07-26 US disclosed
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed
EP-0126372-B1 HALOGENATED PROTEASE INHIBITORS G.D. Searle & Co. (US) 1986-07-16 EP disclosed
US-4501895-A ELASTIN DEGRADATION INHIBITION G.D. SEARLE & CO. (US) 1985-02-26 US disclosed
EP-0126372-A1 Halogenated protease inhibitors G.D. Searle & Co. (US) 1984-11-28 EP disclosed
US-4469885-A Halogenated protease inhibitors G. D. SEARLE & CO. (US) 1984-09-04 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-11342511-B2 Azoline ring-containing compound, electron transport/injection layer material containing the same, and organic electroluminescent element using the same SLC7A5, EML4, ARNT OGG1 3229/4885NPC1 999/4885RAB9A 1603/4885
US-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R OGG1 4768/4885NPC1 2338/4885RAB9A 2492/4885
US-20180212156-A1 AZOLINE RING-CONTAINING COMPOUND, ELECTRON TRANSPORT/INJECTION LAYER MATERIAL CONTAINING THE SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME SLC7A5, EML4, ARNT OGG1 3229/4885NPC1 999/4885RAB9A 1603/4885

“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.