SCHEMBL72846

SCHEMBL72846

CC(C)(C)C(=O)Nc1ccc(F)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.79
ALDH1A1 P00352 4/20 0.69
LMNA P02545 2/20 0.69
ALOX12 P18054 1/20 0.69
MAPT P10636 5/20 0.61
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
HTT P42858 3/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
XBP1 P17861 1/20 0.59
MAPK1 P28482 1/20 0.59
ABCC9 O60706 2/20 0.58
ABCC8 Q09428 2/20 0.58
KCNJ11 Q14654 2/20 0.58
KCNJ8 Q15842 2/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58

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
SCHEMBL7733701 0.89 L3MBTL1 (1.00) L3MBTL1ALDH1A1LMNAALOX12MAPT
SCHEMBL28307531 0.84 ALDH1A1 (0.57) L3MBTL1ALDH1A1LMNAALOX12MAPT
SCHEMBL20216834 0.82 MEN1 (0.54) L3MBTL1ALDH1A1LMNAALOX12MAPT
SCHEMBL26361794 0.81 HTT (0.61) L3MBTL1ALDH1A1LMNAALOX12MAPT
SCHEMBL22962867 0.81 GAA (0.55) L3MBTL1ALDH1A1LMNAALOX12MAPT
SCHEMBL4110532 0.81 L3MBTL1 (0.83) L3MBTL1ALDH1A1LMNAMAPTMEN1
SCHEMBL1422823 0.81 L3MBTL1 (0.83) L3MBTL1ALDH1A1LMNAMAPTMEN1
SCHEMBL8777217 0.81 L3MBTL1 (0.83) L3MBTL1ALDH1A1LMNAALOX12MAPT
SCHEMBL18033762 0.81 L3MBTL1 (0.83) L3MBTL1ALDH1A1LMNAALOX12MAPT
SCHEMBL5549558 0.81 CA12 (0.59) L3MBTL1ALDH1A1LMNAALOX12MAPT

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119954705-A Indole derivative and preparation method thereof 南阳师范学院 2025-05-09 CN claimed
CN-119954705-A Indole derivative and preparation method thereof 南阳师范学院 2025-05-09 CN disclosed
US-11873317-B2 Galectin-3 inhibiting c-glycosides GLYCOMIMETICS, INC. (US) 2024-01-16 US disclosed
US-11771677-B2 Immunomodulating urea azalides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
CN-113912529-B Method for synthesizing indole compounds by catalyzing N-aryl amide compounds and vinylene carbonate with ruthenium 成都大学 2023-07-25 CN disclosed
US-20230219975-A1 PYRIDO[2,3-B][1,4]OXAZINES OR TETRAHYDROPYRIDO[2,3-B][1,4]OXAZEPINES AS IAP ANTAGONISTS BEONE MEDICINES I GMBH (CH) 2023-07-13 US disclosed
CN-113416139-B 4-fluorine substituted aryl amine compound and synthetic method thereof 江苏笃行致远新材料科技有限公司 2022-06-03 CN disclosed
CN-113912529-A Method for synthesizing indole compound by catalyzing N-aryl amide compound and vinylene carbonate with ruthenium 成都大学 2022-01-11 CN disclosed
US-11220506-B2 Imidazo[1,5-a]pyrazine derivatives as PI3Kdelta inhibitors BEIGENE, LTD. (KY) 2022-01-11 US disclosed
US-20210290591-A1 IMMUNOMODULATING UREA AZALIDES ZOETIS SERVICES LLC 2021-09-23 US disclosed
EP-1091944-A1 1,3-BENZODIAZEPIN-2-ONES AND 1,3-BENZOXAZEPIN-2-ONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2001-04-18 EP disclosed
WO-2001025229-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-12 WO disclosed
US-6204262-B1 1,3-Benzodiazepin-2-ones and 1,3-Benzoxazepin-2-ones useful as HIV reverse transcriptase inhibitors DUPONT PHARMACEUTICALS COMPANY 2001-03-20 US disclosed
US-6140320-A FOR TREATING HIV(HUMAN IMMUNODEFICIENCY VIRUS) INFECTIONS DUPONT PHARMACEUTICALS COMPANY (US) 2000-10-31 US disclosed
EP-1009742-A1 5,5-DISUBSTITUTED-1,5-DIHYDRO-4,1-BENZOXAZEPIN-2(3H)-ONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-06-21 EP disclosed
US-6040480-A PREPARING 2-(1,1,1-TRIFLUORO-2-HYDROXY-4-CYCLOPROPYL-BUT-3-YN-2-YL),4-CHLOROANILINE; CYCLIZATION; HUMAN IMMUNODEFICIENCY VIRUS (HIV) REVERSE TRANSCRIPTASE INHIBITOR NONTOXIC MAATERIALS; NONCHROMAGRAPHIC PURIFICATION DU PONT PHARMACEUTICALS COMPANY (US) 2000-03-21 US disclosed
WO-2000000479-A1 1,3-BENZODIAZEPIN-2-ONES AND 1,3-BENZOXAZEPIN-2-ONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-01-06 WO disclosed
US-5932726-A VIRICIDE, ENZYME INHIBITOR; 6-CHLORO-4-CYCLOPROPYLETHYNYL4-TRIFLUOROMETHYL-1,4-DIHYDRO2H-3 ,1-BENZOXAZIN-2-ONE DUPONT PHARMACEUTICALS COMPANY (US) 1999-08-03 US disclosed
US-5925789-A MULTISTAGE PROCESS WITH AMINATION, DEHYDRATION AND STIRRING TO GIVE AN INTERMEDIATE IN THE SYNTHESIS OF 6-CHLORO-4-CYCLO PROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-2H-3,1-BENZOXAZINE-2-ONE AS AN INHIBITOR OF HIV REVERSE TRANSCRIPTASE DUPONT PHARMACEUTICALS COMPANY (US) 1999-07-20 US disclosed
WO-1999011635-A1 5,5-DISUBSTITUTED-1,5-DIHYDRO-4,1-BENZOXAZEPIN-2(3H)-ONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1999-03-11 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-20230219975-A1 PYRIDO[2,3-B][1,4]OXAZINES OR TETRAHYDROPYRIDO[2,3-B][1,4]OXAZEPINES AS IAP ANTAGONISTS BIRC2, BIRC3, API5 L3MBTL1 1901/4885ALDH1A1 3253/4885LMNA 738/4885
US-11873317-B2 Galectin-3 inhibiting c-glycosides LGALS3, LGALS3BP, LGALS1 L3MBTL1 1142/4885ALDH1A1 3689/4885LMNA 326/4885
US-11771677-B2 Immunomodulating urea azalides ARG1, IL2, CD209 L3MBTL1 1830/4885ALDH1A1 371/4885LMNA 4881/4885
US-20210290591-A1 IMMUNOMODULATING UREA AZALIDES ARG1, IL2, CD209 L3MBTL1 1830/4885ALDH1A1 371/4885LMNA 4881/4885
US-11220506-B2 Imidazo[1,5-a]pyrazine derivatives as PI3Kdelta inhibitors PIK3CD, PIK3R5, PIK3CA L3MBTL1 3962/4885ALDH1A1 2121/4885LMNA 3912/4885

“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.